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曲磷胺
- 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
- 下游产品
曲磷胺 基本信息
- 中文名称：
- 曲磷胺
- 中文别名：
- 曲磷胺;
三氯乙磷胺
- 英文名称：
- 2H-1,3,2-Oxazaphosphorin-2-amine,N,N,3-tris(2-chloroethyl)tetrahydro-, 2-oxide
- 英文别名：
- Trofosfamide;
ifosfamide mustard;
3-(2-Chloroethyl)-2-(bis(2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorine 2-oxide;
TROPHOSPHAMIDE;
triphosphamide;
3-(2-Chloroethyl)-2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide;
Asta Z 4828;
2H-1,3,2-Oxazaphosphorin-2-amine,N,N,3-tris(2-chloroethyl)tetrahydro-,2-oxide (9ci);
A-4828;
2-(Bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
- CAS No.：
- 22089-22-1
- 分 子 式：
- C9H18Cl3N2O2P
- 分 子 量：
- 323.61
- 精确分子量：
- 322.01700
- PSA：
- 42.59000
- EINECS：
- 244-770-8
- InChI：
- The Key: UMKFEPPTGMDVMI-UHFFFAOYSA-N
- 安全术语：
- Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. Human mutation data reported. Human systemic effects by unspecified routes: hematuria, leukopenia, and thrombocytopenia. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and POx.
- 分子结构式：
-
- SDS：
- 查看
曲磷胺 物化性质
- 密度：
- 1.35g/cm3
- 熔点：
- 47-49°C
- 沸点：
- 393.7ºC at 760mmHg
- 闪点：
- 191.9ºC
- 折射率：
- 1.518
- 蒸汽压：
- 2.09E-06mmHg at 25°C
曲磷胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RP5880000
- CHEMICAL NAME :
- 2H-1,3,2-Oxazaphosphorine,
2-(bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahyd
ro-, 2-oxide
- CAS REGISTRY NUMBER :
- 22089-22-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 25
- MOLECULAR FORMULA :
- C9-H18-Cl3-N2-O2-P
- MOLECULAR WEIGHT :
- 323.61
- WISWESSER LINE NOTATION :
- T6NTJ A1 DOV1- ET5OVXTJ ER& C-& AL6XTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - hematuria
Blood - leukopenia
Blood - thrombocytopenia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 202 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 - rat
- DOSE/DURATION :
- 210 mg/kg
- TOXIC EFFECTS :
- Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 464 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 :
- 212 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 157 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Sperm Morphology
- TYPE OF TEST :
- Heritable translocation test
MUTATION DATA
- TEST SYSTEM :
- Rodent - hamster
- DOSE/DURATION :
- 3300 ug/kg
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000
Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year:
38,35,1977
曲磷胺 海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
曲磷胺 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）:1.8
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积:32.8
7.重原子数量:17
8.表面电荷:0
9.复杂度:265
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:1
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
