92-49-9

• 常用中文名：N-乙基-N-氯乙基苯胺
• 常用英文名：N-ethyl-N-chloroethyl aniline
• CAS号：92-49-9
• 分子式：C₁₀H₁₄ClN
• 分子量：183.678
• 发布时间：2018-06-30 14:06:23
• 更新时间：2024-01-14 21:45:17
• 【用途一】
  用作有机合成中间体

名称

• 中文名: N-乙基-N-氯乙基苯胺
• 英文名: N-(2-chloroethyl)-N-ethylaniline
• 中文别名: N-氯乙烷-N-乙基苯胺
• 英文别名: 2-(N-Ethylanilino)ethyl chloride; MFCD00000966; N-Aethyl-N-(2-chlor-aethyl)-anilin; N-ethyl-N-chloroethyl aniline; Ethyl(chloroethyl)aniline; Benzenamine, N-(2-chloroethyl)-N-ethyl-; Aniline,4-chloro-N,N-diethyl; N-Chloroethyl-N-ethylaniline; Emery 5770; N-ethyl-N-(2-chloroethyl)-aniline; EINECS 202-159-3; Benzenamine,N-(2-chloroethyl)-N-ethyl; N-(2-chloro-ethyl)-N-ethyl-aniline; N-(2-Chloroethyl)-N-ethylaniline

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 259.7±23.0 °C at 760 mmHg
• 熔点: 91-93 °C(lit.)
• 分子式: C₁₀H₁₄ClN
• 分子量: 183.678
• 闪点: 110.8±22.6 °C
• 精确质量: 183.081482
• PSA: 3.24000
• LogP: 3.14
• 外观性状: 针状
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.549
• 分子结构:

  1、 摩尔折射率：54.68

  2、 摩尔体积（cm³/mol）：171.8

  3、 等张比容（90.2K）：427.3

  4、 表面张力（dyne/cm）：38.2

  5、 极化率（10-24cm3）：21.67

• 计算化学:

  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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积3.2

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:110

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : BX1300000 CHEMICAL NAME : Aniline, N-(2-chloroethyl)-N-ethyl- CAS REGISTRY NUMBER : 92-49-9 BEILSTEIN REFERENCE NO. : 1073025 LAST UPDATED : 199712 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C10-H14-Cl-N MOLECULAR WEIGHT : 183.70 WISWESSER LINE NOTATION : G2N2&R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 616 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0578-0169S TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,167,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 325 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,167,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Skin and Appendages - corrosive (after topical exposure) REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0578-0169S

安全

• 安全声明 (欧洲): S20/21-S28-S45-S60-S61
• 危险品运输编码: UN 3283 6.1/PG 2
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2921420090

合成路线

92-50-2 ~87% 92-49-9

文献：Cole, Erin L.; Arunkumar, Easwaran; Xiao, Shuzhang; Smith, Bryan A.; Smith, Bradley D. Organic and Biomolecular Chemistry, 2012 , vol. 10, # 30 p. 5769 - 5773

103-69-5 ~% 92-49-9

文献：Journal of the American Chemical Society, , vol. 66, p. 1640

上下游产品

上游产品  2
92-50-2 103-69-5
下游产品  4
23730-69-0 2643-07-4 654050-45-0 51920-03-7

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%