77-46-3

• 常用中文名：乙酰胺苯砜
• 常用英文名：acedapsone
• CAS号：77-46-3
• 分子式：C₁₆H₁₆N₂O₄S
• 分子量：332.37400
• 相关类别： 化学试剂 有机试剂 砜、亚砜类化合物
• 发布时间：2016-01-25 10:01:41
• 更新时间：2024-01-02 13:49:49

名称

• 中文名: 乙酰胺苯砜
• 英文名: N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide
• 英文别名: 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

物化性质

• 密度: 1.362g/cm3
• 沸点: 661ºC at 760 mmHg
• 熔点: 289-292°
• 分子式: C₁₆H₁₆N₂O₄S
• 分子量: 332.37400
• 闪点: 353.6ºC
• 精确质量: 332.08300
• PSA: 100.72000
• LogP: 3.66300
• 折射率: 1.625
• 计算化学:

  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

毒性和生态

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

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