3010-04-6

• 常用中文名：(N-丁胺基)乙腈
• 常用英文名：Acetonitrile,2-(butylamino)-
• CAS号：3010-04-6
• 分子式：C₆H₁₂N₂
• 分子量：112.17300
• 相关类别： 有机原料 氨基化合物 无环单胺、多胺及其衍生物和盐
• 发布时间：2018-06-19 13:33:06
• 更新时间：2024-01-09 17:56:16
• 下载msds

名称

• 中文名: (N-丁胺基)乙腈
• 英文名: 2-(butylamino)acetonitrile
• 英文别名: N-(cyanomethyl)butylamine; (n-Butylamino)acetonitrile; N-butyl-glycine nitrile; MFCD00001888; (butylamino)acetonitrile; N-Butyl-glycin-nitril; N-n-Butylaminoacetonitrile; 2-butylaminoacetonitrile; EINECS 221-132-7

物化性质

• 密度: 0.864g/cm3
• 沸点: 205.2ºC at 760mmHg
• 分子式: C₆H₁₂N₂
• 分子量: 112.17300
• 闪点: 77.9ºC
• 精确质量: 112.10000
• PSA: 35.82000
• LogP: 1.29058
• 折射率: n20/D 1.434(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 常温常压下稳定。

  与酸，酸性氯化物，酸酐，氯代甲酸酯反应。

• 分子结构:

  1、摩尔折射率：33.35

  2、摩尔体积（cm³/mol）：129.7

  3、等张比容（90.2K）：307.1

  4、表面张力（dyne/cm）：31.3

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：13.22

  7、单一同位素质量：112.100048Da

  8、标称质量：112Da

  9、平均质量：112.1729Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.8

  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：4

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：35.8

  7、 重原子数量：8

  8、 表面电荷：0

  9、 复杂度：79.8

  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：黄色或棕色透明液体

  2. 密度（g/mL,25℃）：0.891

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,9mmHg）：85

  7. 折射率(n20/D)：1.434

  8. 闪点（ºC）：＞112

  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-Butylamino)acetonitrile 98% Material Safety Data Sheet Synonym: None CAS: 3010-04-6 Section 1 - Chemical Product MSDS Name:(n-Butylamino)acetonitrile 98% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3010-04-6 (n-Butylamino)acetonitrile 98 221-132-7 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. The toxicological properties of this material have not been fully investigated. Skin: Causes skin irritation. The toxicological properties of this material have not been fully investigated. Most nitrile compounds are well absorbed through intact skin, and may cause delayed onset of symptoms following exposure by this route. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: 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: Treat symptomatically and supportively. 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 agent most appropriate to extinguish fire. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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# 3010-04-6: 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: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 85 deg C @ 9.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8910g/cm3 Molecular Formula: C6H12N2 Molecular Weight: 112.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Stability unknown. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3010-04-6 unlisted. LD50/LC50: Not available. Carcinogenicity: (n-Butylamino)acetonitrile - Not listed by ACGIH, IARC, or NTP. 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 Shipping Name: NITRILES, LIQUID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III 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 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 3010-04-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3010-04-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3010-04-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302 + H312 + H332-H315-H319-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 20/21/22-36/37/38
• 安全声明 (欧洲): 26-37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2926909090

合成路线

107-14-2 109-73-9 ~81% 3010-04-6

文献：Prieur, Emilie; Azzouz, Rabah; Deguest, Geoffrey; Fruit, Corinne; Bischoff, Laurent; Marsais, Francis Tetrahedron Letters, 2008 , vol. 49, # 3 p. 437 - 440

109-73-9 107-16-4 ~% 3010-04-6

文献：Journal of the American Chemical Society, , vol. 78, p. 4042

50-00-0 74-90-8 109-73-9 ~% 3010-04-6

文献：Journal of the American Chemical Society, , vol. 75, p. 4841

50-00-0 151-50-8 109-73-9 ~% 3010-04-6

文献：Journal of Scientific and Industrial Research, , vol. 17B, p. 11,20 Chem.Abstr., , p. 15547

123-72-8 540-61-4 ~% 3010-04-6

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 28, # 3.1 p. 374 - 380 Zhurnal Organicheskoi Khimii, , vol. 28, # 3 p. 461 - 467

50-00-0 143-33-9 109-73-9 ~% 3010-04-6

文献：US2372895 , ;

50-00-0 143-33-9 3858-78-4 ~% 3010-04-6

文献：Pharmazeutische Zentralhalle, , vol. 92, p. 193,196

50-00-0 544-92-3 3858-78-4 ~% 3010-04-6

文献：Tetrahedron, , vol. 44, # 14 p. 4431 - 4446

上下游产品

上游产品  10
107-14-2 109-73-9 107-16-4 50-00-0
74-90-8 151-50-8 123-72-8 540-61-4
143-33-9 3858-78-4
下游产品  3
19522-69-1 3483-14-5 58061-48-6

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%