醋氨苯砜
- 中文名称:
- 醋氨苯砜
- 中文别名:
- 醋氨苯砜;
双乙酰胺
- 英文名称:
- N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide
- 英文别名:
- N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide;
Acetamin;
Acedapsone;
Hansolar;
4,4'-diacetamidodiphenyl sulphone;
4,4'-bis(acetylamino)diphenyl sulfone;
N,N'-[4,4'-sulfinylbis(4,1-phenylene)]diacetamide;
DADDS;
Diacetyldapsone;
Sulfadiamine;
4,4'''-sulfonylbis(acetanilide);
4,4'-diacetylaminodiphenylsulphone;
Camilan;
4,4'-di-N-acetylaminodiphenyl sulfone;
Sulfodiamine;
Rodilone;
Sulfodiamin
- CAS No.:
- 77-46-3
- 分 子 式:
-
C16H16N2O4S
- 分 子 量:
- 332.37400
- 精确分子量:
- 332.08300
- PSA:
- 100.72000
- InChI:
- The Key: AMTPYFGPPVFBBI-UHFFFAOYSA-N3
- 分子结构式:
-
- SDS:
- 查看
醋氨苯砜 物化性质
- 密度:
- 1.362g/cm3
- 沸点:
- 661ºC at 760 mmHg
- 闪点:
- 353.6ºC
- 折射率:
- 1.625
醋氨苯砜 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AE7175000
- CHEMICAL NAME :
- Acetanilide, 4',4'''-sulfonylbis-
- CAS REGISTRY NUMBER :
- 77-46-3
- BEILSTEIN REFERENCE NO. :
- 2164071
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C16-H16-N2-O4-S
- MOLECULAR WEIGHT :
- 332.40
- WISWESSER LINE NOTATION :
- 1VMR DSWR DMV1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JACSAT Journal of the American Chemical Society. (American Chemical Soc.,
Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
20037) V.1- 1879- Volume(issue)/page/year: 61,617,1939
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4200 mg/kg/43W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Endocrine - tumors
Blood - lymphoma, including Hodgkin's disease
- REFERENCE :
- JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60,
1940-78. For publisher information, see JJIND8. Volume(issue)/page/year:
24,149,1960
醋氨苯砜 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):1.1
2.氢键供体数量:2
3.氢键受体数量:4
4.可旋转化学键数量:4
5.互变异构体数量:6
6.拓扑分子极性表面积:101
7.重原子数量:23
8.表面电荷:0
9.复杂度:483
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