氰化苄

外观与性状：

无色油状液体，有刺激气味。

密度：

1.013±0.06 g/cm3

熔点：

-23.8 °C

沸点：

233.5±0.0 °C

闪点：

101.7±0.0 °C

水溶解性：

Slightly Soluble (1.3 g/L)

折射率：

n20/D 1.524

蒸汽压：

0.159mmHg at 25°C

蒸汽密度：

0.0557 Torr

存储条件/存储方法：

储存注意事项^[22] 储存于阴凉、通风的库房。远离火种、热源。保持容器密封。应与氧化剂、还原剂、酸类、食用化学品分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关：

1.具有腈的一般化学性质。硫代硫酸钠对本品有解毒作用。

2.稳定性^[19]  稳定

3.禁配物^[20]  强氧化剂、强还原剂、强酸、强碱

4.聚合危害^[21]  不聚合

其它信息：

1.性状：无色油状液体，有芳香气味。^[1]

2.熔点（℃）：-23.8^[2]

3.沸点（℃）：233.5^[3]

4.相对密度（水=1）：1.02^[4]

5.饱和蒸气压（kPa）：0.0123（25℃）^[5]

6.燃烧热（J/mol）：-4278.2^[6]

7.辛醇/水分配系数：1.56^[7]

8.闪点（℃）：101^[8]

9.爆炸上限（%）：7^[9]

10.爆炸下限（%）：1.1^[10]

11.溶解性：不溶于水，溶于乙醇、乙醚等多数有机溶剂。^[11]

12.折射率（20ºC）：1.5230

13.黏度（mPa·s,25ºC）：1.956

14.导率（S/m）：<0.5×10^-7

包装等级：

III

风险类别：

6.1(b)

海关代码：

2926909090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R23/24/25

安全说明：

S28-S36/37-S45-S23

RTECS号：

AM1400000

安全标志：

S14:远离...（列出不相容的物质）。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后，立即使用大量皂液洗涤。
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:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AM1400000

CHEMICAL NAME :

Acetonitrile, phenyl-

CAS REGISTRY NUMBER :

140-29-4

LAST UPDATED :

199710

DATA ITEMS CITED :

21

MOLECULAR FORMULA :

C8-H7-N

MOLECULAR WEIGHT :

117.16

WISWESSER LINE NOTATION :

NC1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,803,1982 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

270 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Liver - other changes

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(8),20,1967

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

430 mg/m3/2H

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 32(7-9),176,1967

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,803,1982

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

74982 ug/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Behavioral - changes in motor activity (specific assay)

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 10,265,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

45500 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 55,47,1984

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

100 mg/m3/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,25,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

32 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 :

270 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,803,1982

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

50 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

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: 5,161,1899

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570995

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

5 mL/kg

TOXIC EFFECTS :

Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570995

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Bird - pigeon

DOSE/DURATION :

120 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,803,1982

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Amphibian - frog

DOSE/DURATION :

1100 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

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: 5,161,1899 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

60 mg/m3/2H/4W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(8),20,1967 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.8 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83175 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 705 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83175 No. of Facilities: 28 (estimated) No. of Industries: 2 No. of Occupations: 10 No. of Employees: 5911 (estimated) No. of Female Employees: 1005 (estimated)

毒理学数据：

1.急性毒性^[12]

LD50：270mg/kg（大鼠经口）；45.5mg/kg（小鼠经口）；270mg/kg（兔经皮）

LC50：430mg/m³（大鼠吸入，2h）

2.刺激性^[13]   家兔经皮：500mg（24h），轻度刺激。

3.致敏性^[14]   皮肤致敏

 

生态数据：

1.生态毒性^[15]  EC50：1.2~1.51mg/L（发光菌，Microtox毒性测试）

2.生物降解性^[16]   MITI-I测试，初始浓度100mg/L，污泥浓度30mg/L，2周后降解77%。

3.非生物降解性^[17]   空气中，当羟基自由基浓度为5.00×10⁵个/cm³时，降解半衰期为7.8d（理论）。

4.其他有害作用^[18]   该物质对环境有危害，应特别注意对水体的污染。

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%

分子结构数据

1、摩尔折射率：35.71

2、摩尔体积（cm³/mol）：115.6

3、等张比容（90.2K）：292.1

4、表面张力（3.0 dyne/cm）：40.7

5、极化率（0.5 10^-24cm³）：14.15

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积23.8

7.重原子数量:9

8.表面电荷:0

9.复杂度:114

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

• 
  苯乙腈红外图谱(IR1)
• 
  苯乙腈质谱(MS)