3-Chloro-4-aminoaniline
- 中文别名:2-氯-4-氨基苯胺; 邻氯对苯二胺; 2-氯-1,4-苯二胺
- 中文释义:2-氯-4-氨基苯胺;邻氯对苯二胺;1,4-二氨基-2-氯苯;3-氯-4-氨基苯胺;2-氯-1,4-苯二胺;2-氯对苯二胺
- 英文别名:2-chloro-1,4-phenylenediamine;
2-Chloro-1,4-diaminobenzene;
2-Chlorobenzene-1,4-diamine
- CAS No.:615-66-7
- 分子式:C6H7ClN2
- 分子量:142.59
- 精确分子量:142.03000
- PSA:52.04000
- InChI:InChI=1/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- 分子结构式:
物化性质
- 密度:
- 1.345 g/cm C
- 熔点:
- 62-66ºC
- 沸点:
- 287.9ºC at 760 mmHg
- 闪点:
- 127.9ºC
- 存储条件/存储方法:
- 库房低温通风干燥
安全信息
- 密度:
- 1.345 g/cm C
- 熔点:
- 62-66ºC
- 沸点:
- 287.9ºC at 760 mmHg
- 闪点:
- 127.9ºC
- 存储条件/存储方法:
- 库房低温通风干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SS8925000
- CHEMICAL NAME :
- p-Phenylenediamine, 2-chloro-
- CAS REGISTRY NUMBER :
- 615-66-7
- BEILSTEIN REFERENCE NO. :
- 2802557
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C6-H7-Cl-N2
- MOLECULAR WEIGHT :
- 142.60
- WISWESSER LINE NOTATION :
- ZR DZ BG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- 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: -,609,1986 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 22,147,1984
海关数据
中国海关编码:2921519090
- 概述:
- 2921519090. 间-、对-苯二胺、二氨基甲苯等〔包括衍生物及它们的盐〕. 增值税率:17.0%. 退税率:17.0%. 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
- 摘要/Summary:
- 2921519090. o-, m-, p-phenylenediamine, diaminotoluenes, and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0%
分子结构与计算化学数据
计算化学数据
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:0
5.互变异构体数量:无
6.拓扑分子极性表面积:52
7.重原子数量:9
8.表面电荷:0
9.复杂度:97.1
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
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