136-80-1

• 常用中文名：N-(2-羟乙基)-2-甲基苯胺
• 常用英文名：N-(2-Hydroxyethyl)-2-Methylaniline
• CAS号：136-80-1
• 分子式：C₉H₁₃NO
• 分子量：151.20600
• 发布时间：2018-09-05 14:43:04
• 更新时间：2024-01-10 14:07:29

名称

• 中文名: N-羟乙基-邻甲基苯胺
• 英文名: 2-(2-methylanilino)ethanol
• 中文别名: N-(2-羟乙基)-2-甲基苯胺; 2-(邻甲苯氨基)乙醇; N-(2-羟基乙基)邻甲苯胺
• 英文别名: Emery 5711; 2-o-Toluidino-aethanol; o-Toluidino ethanol; ETHANOL,2-TOLUIDINO; o-Tolyl ethanolamine; N-(2-Hydroxyethyl)-o-toluidine; N-(2-Hydroxyethyl)-2-Methylaniline

物化性质

• 密度: 1.086g/cm3
• 沸点: 285.5ºC at 760 mmHg
• 分子式: C₉H₁₃NO
• 分子量: 151.20600
• 闪点: 145.6ºC
• 精确质量: 151.10000
• PSA: 32.26000
• LogP: 1.47220
• 蒸汽压: 0.00131mmHg at 25°C
• 折射率: 1.588
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：46.85

  2、 摩尔体积（cm³/mol）：139.1

  3、 等张比容（90.2K）：360.3

  4、 表面张力（dyne/cm）：360.3

  5、 极化率（10-24cm3）：18.57

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积32.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:106

  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 : KM3325000 CHEMICAL NAME : Ethanol, 2-toluidino- CAS REGISTRY NUMBER : 136-80-1 BEILSTEIN REFERENCE NO. : 1210606 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C9-H13-N-O MOLECULAR WEIGHT : 151.23 WISWESSER LINE NOTATION : Q2MR B1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,693,1986 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,693,1986 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949

安全

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2921499090

合成路线

95-46-5 141-43-5 ~95% 136-80-1

文献：Yin, Huiqing; Jin, Ming; Chen, Wei; Chen, Chen; Zheng, Likang; Wei, Ping; Han, Shiqing Tetrahedron Letters, 2012 , vol. 53, # 10 p. 1265 - 1270

624-76-0 95-53-4 ~85% 136-80-1

文献：Bhanu Prasad; Gilbertson, Scott R. Organic Letters, 2009 , vol. 11, # 16 p. 3710 - 3713

90869-76-4 ~% 136-80-1

文献：Journal of the American Chemical Society, , vol. 45, p. 789

95-53-4 ~% 136-80-1

文献：Journal of the American Chemical Society, , vol. 45, p. 789

52316-60-6 108-88-3 ~3% 102-41-0 2933-74-6 详细

文献：Doklady Chemistry, , vol. 308, # 4-6 p. 295 - 298 Dokl. Akad. Nauk SSSR Ser. Khim., , vol. 308, # 5 p. 1150 - 1154

95-53-4 107-07-3 ~68% 136-80-1

文献：Aksac, Z.; Altinok, A.; Icli, S. Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy, 1983 , vol. 39, # 12 p. 1029 - 1032

75-21-8 95-53-4 ~% 136-80-1

文献：Trudy Inst.Chim.Charkovsk.Univ.Chem.Abstr., , vol. 3, p. 45,50 Trudy Inst.Chim.Charkovsk.Univ.Chem.Abstr., , p. 1024

海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 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	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%