- 中文别名:萘氮芥
- 中文释义:萘氮芥
- 英文别名:N,N-bis(2-chloroethyl)naphthalen-2-amine;
Nafticlorina;
Chlornaftina;
Chloronaftina;
Chlornaphthin;
Aleukon;
Chlornaphazine;
Chloronaphthina;
Cloronaftina;
Chloronaphthine;
Chlornaphazin - cas No.:494-03-1
- 分子式:C14H15Cl2N
- 分子量:268.185
- 精确分子量:267.05800
- PSA:3.24000
- InChI:The Key: XCDXSSFOJZZGQC-UHFFFAOYSA-N
- 分子结构式:
物化性质
- 密度:
- 1.234g/cm3
- 沸点:
- 414.3ºC at 760 mmHg
- 闪点:
- 204.4ºC
- 折射率:
- 1.63
- 蒸汽压:
- 4.49E-07mmHg at 25°C
- 存储条件/存储方法:
- 库房通风低温干燥
安全信息
- 密度:
- 1.234g/cm3
- 沸点:
- 414.3ºC at 760 mmHg
- 闪点:
- 204.4ºC
- 折射率:
- 1.63
- 蒸汽压:
- 4.49E-07mmHg at 25°C
- 存储条件/存储方法:
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QM2450000
- CHEMICAL NAME :
- 2-Naphthylamine, N,N-bis(2-chloroethyl)-
- CAS REGISTRY NUMBER :
- 494-03-1
- BEILSTEIN REFERENCE NO. :
- 3316600
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 21
- MOLECULAR FORMULA :
- C14-H15-Cl2-N
- MOLECULAR WEIGHT :
- 268.20
- WISWESSER LINE NOTATION :
- L66J CN2G2G
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 :
- 1086 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 :
- 1300 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 :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 2468 mg/kg/6Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 3132 mg/kg/10Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 3200 mg/kg/11Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 330 mg/kg/4W
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 4090 mg/kg/7Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 3200 mg/kg/11Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
MUTATION DATA
- TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 120 ug/L
- REFERENCE :
- AETODY Advances in Modern Environmental Toxicology. (Senate Press, Inc., P.O. Box 252, Princeton Junction, NJ 08550) V.1- 1980- Volume(issue)/page/year: 1,241,1980 *** REVIEWS *** IARC Cancer Review:Human Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,119,1974 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,119,1974 IARC Cancer Review:Group 1 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,130,1987 TOXICOLOGY REVIEW ADCSAJ Advances in Chemistry Series. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) No.1- 1950- Volume(issue)/page/year: 13,271,1970
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):4.5
2.氢键供体数量:0
3.氢键受体数量:1
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:3.2
7.重原子数量:17
8.表面电荷:0
9.复杂度:216
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