苯胺基乙腈

  • 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

苯胺基乙腈 基本信息

中文名称:
苯胺基乙腈 
中文别名:
苯胺基乙腈;
N-苯基甘油乙腈 
英文名称:
Acetonitrile,2-(phenylamino)-
英文别名:
N-Phenylglycinonitrile;
N-Phenyl-glycin-nitril;
phenylglycinenitrile;
anilinoacetonitrile;
anilino-acetonitril;
2-anilinoacetonitrile;
phenylamino-acetonitril;
phenylaminoacetonitrile;
1-anilinoacetonitrile;
n-phenylglycinenitrile;
2-(Phenylamino)acetonitrile;
Acetonitrile,anilino;
2-phenylglycinonitrile 
CAS No.:
3009-97-0
分 子 式:
C8H8N2
分 子 量:
132.16
精确分子量:
132.06900
PSA:
35.82000
MDL:
MFCD00044430
EINECS:
221-129-0
InChI:
InChI=1/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2
危险品标志:
风险术语:
R20/21/22   
安全术语:
S36/37
分子结构式:
SDS:
查看

苯胺基乙腈 制备方法及用途

制备方法

苯胺基乙腈是生产靛蓝的中间体,主要用于牛仔布染色。用于染料中间体

用途简介

用途

苯胺基乙腈是生产靛蓝的中间体,主要用于牛仔布染色。用于染料中间体

苯胺基乙腈 物化性质

外观与性状:
黄色粉末
密度:
1.112 g/cm3
熔点:
40ºC
沸点:
303.5ºC at 760 mmHg
闪点:
137.4ºC
折射率:
1.5591 (20ºC)
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

避免与不相容材料接触。与强氧化剂反应。

其它信息:

1.      性状:黄色固体

2.      密度(g/mL,25):1.05-1.2

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):40

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,0.1mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mPa,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:未确定

苯胺基乙腈 安全信息

海关代码:
2926909090
危险类别码:
R20/21/22
安全说明:
S36/37
安全标志:
:
危险标志:
Xn:Harmful;

苯胺基乙腈 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1750000
CHEMICAL NAME :
Acetonitrile, phenylamino-
CAS REGISTRY NUMBER :
3009-97-0
BEILSTEIN REFERENCE NO. :
2206191
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-N2
MOLECULAR WEIGHT :
132.18
WISWESSER LINE NOTATION :
NC1MR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 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
毒理学数据:

1、急性毒性:小鼠经皮下LDLo55mg/kg

苯胺基乙腈 MSDS

Name: N-Phenylglycinonitrile 97% Material Safety Data Sheet
Synonym: 1-Anilinoacetonitrile; Acetonitrile, anilino-; Acetonitrile, phenylamino-; Anilinoacetonitrile; N-(Cyanomethyl)aniline; Phenylglycine nitril
CAS: 3009-97-0
Section 1 - Chemical Product   MSDS Name:N-Phenylglycinonitrile 97% Material Safety Data Sheet
Synonym:1-Anilinoacetonitrile; Acetonitrile, anilino-; Acetonitrile, phenylamino-; Anilinoacetonitrile; N-(Cyanomethyl)aniline; Phenylglycine nitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3009-97-0 N-Phenylglycinonitrile 97 221-129-0
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
May cause respiratory tract irritation. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3009-97-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 40 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C8H8N2
Molecular Weight: 132.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3009-97-0: AM1750000 LD50/LC50:
Not available.
Carcinogenicity:
N-Phenylglycinonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3009-97-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3009-97-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3009-97-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

苯胺基乙腈 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%

苯胺基乙腈 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1.7

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积35.8

7.重原子数量:10

8.表面电荷:0

9.复杂度:127

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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