甲醛氰醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

甲醛氰醇 基本信息

中文名称:
甲醛氰醇 
中文别名:
氰基甲醇 甲醛氰醇;
乙醇腈 
英文名称:
Acetonitrile,2-hydroxy-
英文别名:
Glycolonitrile;
Glykolonitril;
hydroxyacetonitrile;
2-hydroxyacetonitrile;
cyanomethyl alcohol;
HOCH2CN;
Glycolic nitrile;
glycollonitrile;
cyanomethanol;
formaldehyde cyanohydrin;
USAF a-8565;
Glyconitrile;
oxyacetonitrile 
CAS No.:
107-16-4
分 子 式:

C2H3NO

分 子 量:
57.05
精确分子量:
57.02150
PSA:
44.02000
MDL:
MFCD00042731
EINECS:
203-469-1
BRN:
605328
InChI:
InChI=1/C2H3NO/c3-1-2-4/h4H,2H2
危险品标志:

风险术语:

26/27/28;

安全术语:

36/37/39-45;

分子结构式:
SDS:
查看

甲醛氰醇 制备方法及用途

制备方法

1.由甲醛与氰化钾反应而得。将37%甲醛水溶液慢慢滴加至氰化钾水溶液中,控制温度不超过10℃。放置10min后,仍在10℃以下搅拌,加入稀硫酸至pH为1.9。然后滴加5%氢氧化钾溶液至pH约为3.0,再加入乙醚,过滤出生成的硫酸钾。滤液用乙醚提取。经干燥后,蒸去乙醚,剩余物进行减压蒸馏,收集100℃(1.33kPa)左右馏分即得成品。2.由甲醛与氢氰酸在催化剂存在下进行反应制得。此外,羟乙腈还可由乙醇与氨经气相催化制得。

合成制备方法

1.由甲醛与氰化钾反应而得。将37%甲醛水溶液慢慢滴加至氰化钾水溶液中,控制温度不超过10℃。放置10min后,仍在10℃以下搅拌,加入稀硫酸至pH为1.9。然后滴加5%氢氧化钾溶液至pH约为3.0,再加入乙醚,过滤出生成的硫酸钾。滤液用乙醚提取。经干燥后,蒸去乙醚,剩余物进行减压蒸馏,收集100℃(1.33kPa)左右馏分即得成品。2.由甲醛与氢氰酸在催化剂存在下进行反应制得。此外,羟乙腈还可由乙醇与氨经气相催化制得。

用途简介

有机合成原料。可作为生产甘氨酸、丙二腈、靛蓝染料的中间体。

用途

有机合成原料。可作为生产甘氨酸、丙二腈、靛蓝染料的中间体。

甲醛氰醇 物化性质

外观与性状:
透明至淡黄色液体
密度:
1.076 g/mL at 20 °C
熔点:
-72°C
沸点:
183°C
闪点:
133 °F
水溶解性:
>=10 g/100 mL at 20 ºC
折射率:
n20/D 1.389
蒸汽压:
0.0593mmHg at 25°C
存储条件/存储方法:

本品按有毒危险品规定贮运。

稳定性相关:

本品剧毒。易透过皮肤吸收,因其容易分解为甲醛和氢氰酸,所以有与氢氰酸几乎同等程度的毒性,能引起头痛、头晕、恶心、呕吐、无力、共济失调、体温升高。在血液中可发现氰化物。对大鼠经口LD50约为8mg/kg,毒性非常强,对人体即使未经吸入,而溅污到衣服上时也可致死。工作场所应有良好的通风,设备应密闭,操作人员应穿戴防护用具。

其它信息:

1.      性状:无色油状液体。

2.      密度(g/mL,20℃):1.076 

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-67

5.      沸点(ºC,常压):183

6.      沸点(ºC, 3.2kPa):119

7.      折射率(D20):1.389

8.      闪点(ºC):未确定

9.      比旋光度(ºC):未确定

10.   自燃点或引燃温度(ºC): 未确定

11.   蒸气压(mmHg, ºC):未确定

12.   饱和蒸气压(kPa, 20ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:可溶于乙醇和乙醚。

甲醛氰醇 安全信息

包装等级:
I
风险类别:
6.1(a)
海关代码:
2926909090
WGK_Germany:
-
德国有关水污染物质的分类清单
危险类别码:
R26/27/28
安全说明:
S36/37/39-S45
RTECS号:
AM0350000
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T+:Verytoxic;

甲醛氰醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0350000
CHEMICAL NAME :
Acetonitrile, hydroxy-
CAS REGISTRY NUMBER :
107-16-4
BEILSTEIN REFERENCE NO. :
0605328
LAST UPDATED :
199710
DATA ITEMS CITED :
18
MOLECULAR FORMULA :
C2-H3-N-O
MOLECULAR WEIGHT :
57.06
WISWESSER LINE NOTATION :
Q1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,915,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
27 ppm/8H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity)
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,290,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,290,1969
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
27 ppm/8H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity)
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,290,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 12,447,1904
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Skin and Appendages - primary irritation (after topical exposure)
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Ocular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
13 mg/kg
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,290,1969 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 1 ppm (5 mg/m3) JAN 1993 OEL-THE NETHERLANDS:.TWA 05 ppm. (24 mg/m3) JAN 1993 OEL-SWEDEN:TWA 1 ppm (5 mg/m3);STEL 2 ppm (10 mg/m3);Skin JAN 1993 OEL-TURKEY:TWA 1 ppm (5 mg/m3);STEL 2 ppm (10 mg/m3);Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO GLYCOLONITRILE-air:CL 2.0 ppm/15M REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6125 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 18 No. of Employees: 1433 (estimated)
毒理学数据:

1、急性毒性:大鼠经口LD50:8mg/kg;大鼠经吸入LCLo:27ppm/8H;小鼠经口LD50:10mg/kg;小鼠经吸入LCLo:27ppm/8H;小鼠经腹腔LD50:3mg/kg;小鼠经皮下LDLo:15mg/kg;兔子经皮肤接触LD50:5mg/kg;兔子经眼睛LDLo:13mg/kg;

甲醛氰醇 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name        Glycolonitrile    
    (ca. 52% in Water, ca. 9.7mol/L) (stabilized with H2SO4)
    Portland OR
    Acetonitrile, 2-hydroxy- (CA INDEX NAME);
    Synonym
    Formaldehyde Cyanhydrin; Hydroxyacetonitrile
    Chemical Formula        C2H3NO    
    107-16-4
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Glycolonitrile        107-16-4        Not available. Not available.        Rat LD50 (oral) 8 mg/kg    
    (ca. 52% in Water, ca. 9.7mol/L) (stabilized with H2SO4)
    Rabbit LD50 (dermal) 5 mg/kg
    Mouse LD50 (intraperitoneal) 3
    mg/kg

Section III. Hazards Identification
    Acute Health Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
    Skin Contact
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Combustible.        Auto-Ignition    
    Flammability
    Flammable Limits        Not available.    
    Flash Points        69°C (156.2°F)    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    WARNING: Very toxic cyanide gas may be produced in a fire. Do not inhale.
    Fire Hazards        Not available.    
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Glycolonitrile
    (ca. 52% in Water, ca. 9.7mol/L) (stabilized with H2SO4)

Section VI.        Accidental Release Measures    
    Spill Cleanup        Highly toxic material. Combustible material. Irritating material. Lachrymatory material.    
    Keep away from heat. Mechanical exhaust required. Stop leak if without risk. DO NOT get water inside container. DO NOT
    Instructions
    touch spilled material. Use water spray to reduce vapors. Prevent entry into sewers, basements or confined areas; dike if
    needed. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        HIGHLY TOXIC. COMBUSTIBLE. IRRITANT. LACHRYMATORY. Keep locked up. Keep away from heat. Mechanical    
    exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas/fumes/ vapor/spray. Wear suitable
    Information
    protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat symptomatically
    and supportively.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective    
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Liquid. (Clear, colorless.)        Solubility        Not available.    
    1.07 (water=1)
    Specific Gravity
    Molecular Weight        57.05        Partition Coefficient        Not available.    
    Boiling Point        183°C (361.4°F)        Vapor Pressure        Not available.    
    Melting Point        -67°C (-88.6°F)        Vapor Density        Not available.    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities        Reactive with oxidizing agents.    

Section XI. Toxicological Information
    RTECS Number        AM0350000    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Rat LD50 (oral) 8 mg/kg
    Toxicity Data
    Rabbit LD50 (dermal) 5 mg/kg
    Mouse LD50 (intraperitoneal) 3 mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Acute Toxic Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
    is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Glycolonitrile
    (ca. 52% in Water, ca. 9.7mol/L) (stabilized with H2SO4)

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Glycolonitrile's production and use as solvent and organic intermediate may result in its release to the environment through
    Environmental Fate
    various waste streams. If released to air, an estimated vapor pressure of 0.8 mm Hg at 25 deg C indicates glycolonitrile will
    exist solely as a vapor. Vapor-phase glycolonitrile will be degraded in the atmosphere by reaction with
    photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 21 days. If released to soil,
    glycolonitrile is expected to have very high mobility based upon an estimated Koc of 1. Volatilization from moist soil surfaces
    is not expected to be an important fate process based upon an estimated Henry's Law constant of 7.4X10-6 atm-cu m/mole.
    Glycolonitrile is not expected to volatilize from dry soil surfaces based upon its vapor pressure. If released into water,
    glycolonitrile is not expected to adsorb to suspended solids and sediment in water based upon the estimated Koc.
    Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated
    Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 61 hrs and 30 days,
    respectively. An estimated BCF of 0.5 suggests the potential for bioconcentration in aquatic organisms is low. Occupational
    exposure to glycolonitrile may occur through inhalation and dermal contact with this compound at workplaces where
    glycolonitrile is produced or used.

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT CLASS 6.1: Toxic material
    DOT Classification
    PIN Number
    Proper Shipping Name        Nitriles, toxic, liquid, n.o.s.    
    Packing Group (PG)        I    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        CLASS B-3: Combustible liquid with a flash point between 37.8°C (100°F) and 93.3°C (200°F).    
    CLASS D-1A: Material causing immediate and serious toxic effects (VERY TOXIC).
    (Canada)
    On NDSL.
    EINECS Number (EEC) 203-469-1
    EEC Risk Statements
    R26/27/28- Very toxic by inhalation, in contact with skin and if swallowed.
    R36/37/38- Irritating to eyes, respiratory system and skin.


SECTION 16 - ADDITIONAL INFORMATION
N/A

甲醛氰醇 海关数据

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

甲醛氰醇 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:12.76

2、  摩尔体积(cm3/mol):52.4

3、  等张比容(90.2K):136.7

4、  表面张力(dyne/cm):46.2

5、  极化率(10-24cm3):5.05

计算化学数据

1.疏水参数计算参考值(XlogP):-0.7

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积44

7.重原子数量:4

8.表面电荷:0

9.复杂度:41.2

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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