4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸
- 中文名称:
- 4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸
- 中文别名:
- 4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸
- 英文名称:
- Benzoic acid,4-[[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]amino]-
- 英文别名:
- 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoic acid;
N-(p-(Bis(2-chloroethyl)amino)phenyl) p-carboxycarbanilate;
I.C. 140;
N-<4-Carboxy-phenyl>-carbaminsaeure-4--phenylester;
N-<4-Carboxyphenyl>carbaminsaeure-<4-bis(2-chlorethyl)aminophenyl>ester;
p-(N,N-Di-2-chloroethylamino)phenyl N-(p-carboxyphenyl)carbamate;
4-(((4-(Bis(2-chloroethyl)amino)phenoxy)carbonyl)amino)benzoic acid;
N-<4-Carboxy-phenyl>-carbamidsaeure-<4--phenylester>
- CAS No.:
- 148-78-7
- 分 子 式:
-
C18H18Cl2N2O4
- 分 子 量:
- 397.28
- 精确分子量:
- 396.06400
- PSA:
- 78.87000
- EINECS:
- FD7680000
- InChI:
- The Key: CNLVZUPSGAAHAO-UHFFFAOYSA-N3
- 安全术语:
- Poison by intraperitoneal route. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- 分子结构式:
-
- SDS:
- 查看
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 物化性质
- 密度:
- 1.415g/cm3
- 沸点:
- 565.9ºC at 760 mmHg
- 闪点:
- 296ºC
- 折射率:
- 1.649
- 蒸汽压:
- 1.21E-13mmHg at 25°C
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 安全信息
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FD7680000
- CHEMICAL NAME :
- Carbanilic acid, p-carboxy-,
4-bis(2-chloroethylamino)phenyl ester
- CAS REGISTRY NUMBER :
- 148-78-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C18-H18-Cl2-N2-O4
- MOLECULAR WEIGHT :
- 397.28
- WISWESSER LINE NOTATION :
- QVR DMVOR DN2G2G
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 :
- 56 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 :
- 290 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
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 海关数据
中国海关编码:2924299090
- 概述:
- 2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 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, 包装
- 摘要/Summary:
- 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:102.34
2、 摩尔体积(cm3/mol):280.7
3、 等张比容(90.2K):783.8
4、 表面张力(dyne/cm):60.7
5、 极化率(10-24cm3):40.57
计算化学数据
1.疏水参数计算参考值(XlogP):3.9
2.氢键供体数量:2
3.氢键受体数量:5
4.可旋转化学键数量:9
5.互变异构体数量:4
6.拓扑分子极性表面积78.9
7.重原子数量:26
8.表面电荷:0
9.复杂度:445
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
4-[[4-[双(2氯乙基)氨基]苯氧基]羰基氨基]苯甲酸 上游产品