30273-11-1

• 常用中文名：4-仲丁基苯胺
• 常用英文名：4-(sec-Butyl)aniline
• CAS号：30273-11-1
• 分子式：C₁₀H₁₅N
• 分子量：149.233
• 发布时间：2018-06-01 08:00:00
• 更新时间：2024-01-02 17:03:48

名称

• 中文名: 4-仲丁基苯胺
• 英文名: 4-butan-2-ylaniline
• 中文别名: 对仲丁基苯胺; 4-(1-甲丙基)苯胺
• 英文别名: (4-sec-butylphenyl)amine; 4-sec-butyl-aniline; EINECS 250-108-9; 4-(butan-2-yl)aniline; p-sec-Butylaniline; 4-s-butyl-aniline; 4-(2-Butyl)aniline; MFCD00010223; 4-sec-Butylaniline; Benzenamine, 4-(1-methylpropyl)-; 4-(1-methylpropyl)aniline

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 244.2±9.0 °C at 760 mmHg
• 分子式: C₁₀H₁₅N
• 分子量: 149.233
• 闪点: 107.8±0.0 °C
• 精确质量: 149.120453
• PSA: 26.02000
• LogP: 2.81
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.535
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  1. 如果遵照规格使用和储存则不会分解，未有已知危险反应。

  2. 存在于主流烟气中。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  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26

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:103

  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:1

  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：未确定

  2. 密度（g/mL,25℃）：0.949

  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）：238

  6. 沸点（ºC,96.9KPa）：244-245

  7. 折射率（n20/D）： 1.537

  8. 闪点（ºC）：107.8

  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（Pa,20ºC）：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：溶于乙醚、苯。

MSDS

4-sec-Butylaniline Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-sec-Butylaniline Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 3 Acute toxicity (Oral) Acute toxicity (Dermal)Category 3 Category 3 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordDanger Hazard statementToxic by inhalation, in contact with skin and if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Avoid breathing. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for [Response] breathing. Call a POISON CENTER or doctor/physician. IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Remove/Take off immediately all contaminated clothing. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. 4-sec-Butylaniline Section2. HAZARDS IDENTIFICATION [Storage]Store in a well-ventilated place. Keep container tightly closed. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-sec-Butylaniline >97.0%(GC) Percent: CAS Number:30273-11-1 Chemical Formula:C10H15N Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. Call a POISON CENTER or doctor/physician. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, carbon dioxide. media: Extinguishing media not to Water (It may scatter and spread fire.) be used: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use extra personal protective equipment (self-contained breathing apparatus). Keep protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non- emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapor or mist. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. 4-sec-Butylaniline Section7. HANDLING AND STORAGE Storage Keep container tightly closed. Store in a cool, dark and well-ventilated place. Storage conditions: Store under inert gas. Store locked up. Store away from incompatible materials such as oxidizing agents. Law is followed. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): Form:clear Color:Very pale yellow - Yellow Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:238 °C Flash Point:107°C Explosive limits Lower:No data available Upper:No data available Density:0.94 Solubility:No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:No special reactivity has been reported. Air-sensitive Conditions to avoid: Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available 4-sec-Butylaniline Section12. ECOLOGICAL INFORMATION Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:6.1: Toxic substance. 2810 UN-No: Proper shipping name:Toxic liquid, organic, n.o.s. III Packing group: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 2921420090

合成路线

4237-40-5 ~88% 30273-11-1

文献：Hartmann; Batzl European Journal of Medicinal Chemistry, 1992 , vol. 27, # 5 p. 537 - 544

513-48-4 540-37-4 ~62% 30273-11-1

文献：Joshi-Pangu, Amruta; Ganesh, Madhu; Biscoe, Mark R. Organic Letters, 2011 , vol. 13, # 5 p. 1218 - 1221

92100-30-6 ~% 30273-11-1

文献：US3947434 A1, ;

135-98-8 ~% 30273-11-1

文献：European Journal of Medicinal Chemistry, , vol. 27, # 5 p. 537 - 544

74497-02-2 78-92-2 ~% 30273-11-1

文献：Journal of the Chemical Society, , vol. 117, p. 133

5435-44-9 74497-02-2 78-92-2 ~% 30273-11-1

文献：Journal of the Chemical Society, , vol. 117, p. 133

上下游产品

上游产品  6
4237-40-5 513-48-4 540-37-4 135-98-8
78-92-2 5435-44-9
下游产品  3
4237-40-5 20331-25-3 135-98-8

制备

1. 由对仲丁基硝基苯经还原制得。

海关

海关编码	2921420090
中文概述	2921420090 其他苯胺衍生物及其盐. 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:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%