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2,2,2-三氯氨基甲酸酯
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
- 下游产品
2,2,2-三氯氨基甲酸酯 基本信息
- 中文名称:
- 2,2,2-三氯氨基甲酸酯
- 中文别名:
- 2,2,2-三氯氨基甲酸酯;
2,2,2-Trichloroethyl carbamate
- 英文名称:
- Ethanol,2,2,2-trichloro-, 1-carbamate
- 英文别名:
- 2,2,2-Trichloroethyl carbamate;
Trichloroethyl carbamate;
Trichlorourethan;
EINECS 203-511-9;
Carbamidsaeure-2,2,2-trichlorethylester;
2,2,2-trichloroethylcarbamate;
Trichlorourethane;
Voluntal
- CAS No.:
- 107-69-7
- 分 子 式:
- C3H4Cl3NO2
- 分 子 量:
- 192.43
- 精确分子量:
- 190.93100
- PSA:
- 53.31000
- EINECS:
- 203-511-9
- InChI:
- The Key: QPLJYAKLSCXZSF-UHFFFAOYSA-N
- 安全术语:
- Moderately toxic by ingestion and intraperitoneal routes. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also ESTERS and CARBAMATES.
- 分子结构式:
-
- SDS:
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2,2,2-三氯氨基甲酸酯 物化性质
- 密度:
- 1.611g/cm3
- 沸点:
- 282.3ºC at 760mmHg
- 闪点:
- 124.5ºC
- 折射率:
- 1.51
- 蒸汽压:
- 0.00339mmHg at 25°C
2,2,2-三氯氨基甲酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FD1750000
- CHEMICAL NAME :
- Carbamic acid, 2,2,2-trichloroethyl ester
- CAS REGISTRY NUMBER :
- 107-69-7
- BEILSTEIN REFERENCE NO. :
- 1762058
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C3-H4-Cl3-N-O2
- MOLECULAR WEIGHT :
- 192.43
- WISWESSER LINE NOTATION :
- ZVO1XGGG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3250 mg/kg/13W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 20 umol/plate
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
40,1194,1980
2,2,2-三氯氨基甲酸酯 海关数据
中国海关编码:2924199090
- 概述:
- 2924199090. 其他无环酰胺(包括无环氨基甲酸酯)(包括其衍生物及盐). 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:
- 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2,2,2-三氯氨基甲酸酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:35.77
2、 摩尔体积(cm3/mol):119.4
3、 等张比容(90.2K):315.6
4、 表面张力(dyne/cm):48.8
5、 极化率(10-24cm3):14.18
计算化学数据
1.疏水参数计算参考值(XlogP):1.4
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:2
5.互变异构体数量:2
6.拓扑分子极性表面积52.3
7.重原子数量:9
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