3009-97-0

• 常用中文名：苯胺基乙腈
• 常用英文名：Anilinoacetonitrile
• CAS号：3009-97-0
• 分子式：C₈H₈N₂
• 分子量：132.163
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-07-27 11:55:06
• 更新时间：2024-01-02 13:55:04

• 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

名称

• 中文名: 苯胺基乙腈
• 英文名: N-Phenylglycinonitrile
• 中文别名: N-苯基甘油乙腈
• 英文别名: anilino-acetonitril; 2-phenylglycinonitrile; phenylglycinenitrile; n-phenylglycinenitrile; MFCD00044430; N-Phenyl-glycin-nitril; Acetonitrile, 2-(phenylamino)-; Anilinoacetonitrile; 1-anilinoacetonitrile; n-phenylglycinonitrile; Acetonitrile, (phenylamino)-; 2-(Phenylamino)acetonitrile; phenylaminoacetonitrile; 2-anilinoacetonitrile; Acetonitrile,anilino; EINECS 221-129-0; phenylamino-acetonitril

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 303.5±25.0 °C at 760 mmHg
• 熔点: 40ºC
• 分子式: C₈H₈N₂
• 分子量: 132.163
• 闪点: 137.4±23.2 °C
• 精确质量: 132.068741
• PSA: 35.82000
• LogP: 1.06
• 外观性状: 黄色粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.596
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免与不相容材料接触。与强氧化剂反应。

• 计算化学:

  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

• 更多:

  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

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

毒性和生态

毒理学数据: 1、急性毒性：小鼠经皮下LDLo：55mg/kg； 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

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 危险品运输编码: 3439.0
• 海关编码: 2926909090

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海关

海关编码	2926909090
中文概述	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
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%