chlornaphazine


  • 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

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