氯苯氨啶
- 中文名称：
- 氯苯氨啶
- 中文别名：
- 氯苯氨啶;
5-(3,4-二氯苯基)-6-甲基嘧啶-2,4-二胺
- 英文名称：
- Metoprine
- 英文别名：
- 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine;
METOPRINE,METHODICHLOROPHEN;
BW-197U;
2aov;
DDMP;
METOPRINE;
SK 5265;
Methodichlorophen
- CAS No.：
- 7761-45-7
- 分 子 式：
-
C11H10Cl2N4
- 分 子 量：
- 0
- 精确分子量：
- 268.02800
- PSA：
- 77.82000
- InChI：
- The Key: VQJHOPSWBGJHQS-UHFFFAOYSA-N3
- SDS：
- 查看
氯苯氨啶 物化性质
- 密度：
- 1.447g/cm3
- 熔点：
- 275-276ºC
- 沸点：
- 483.7ºC at 760 mmHg
- 闪点：
- 246.3ºC
- 折射率：
- 1.678
氯苯氨啶 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UV8180000
- CHEMICAL NAME :
- Pyrimidine,
2,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-
- CAS REGISTRY NUMBER :
- 7761-45-7
- BEILSTEIN REFERENCE NO. :
- 0223622
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C11-H10-Cl2-N4
- MOLECULAR WEIGHT :
- 269.15
- WISWESSER LINE NOTATION :
- T6N CNJ BZ DZ ER CG DG& F1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Tumorigenic - active as anti-cancer agent
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg/21D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2500 ug/kg
- SEX/DURATION :
- female 7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 8-9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 7500 ug/kg
- SEX/DURATION :
- female 6-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
MUTATION DATA
- TEST SYSTEM :
- Human
- DOSE/DURATION :
- 2800 ug/kg
- REFERENCE :
- RBBIAL Revista Brasileira de Biologia. Brazilian Review of Biology.
(Academia Brasileira de Ciencias, Caixa Postal 229, ZC-00 Rio de Janeiro,
Brazil) V.1- 1941- Volume(issue)/page/year: 25,145,1965
氯苯氨啶 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:4
4.可旋转化学键数量:1
5.互变异构体数量:17
6.拓扑分子极性表面积:77.8
7.重原子数量:17
8.表面电荷:0
9.复杂度:266
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