12226-61-8

• 常用中文名：活性黄39
• 常用英文名：Reactive Yellow 39
• CAS号：12226-61-8
• 分子式：C₁₉H₁₂BrCl₂N₅Na₂O₈S₂
• 分子量：699.24700
• 发布时间：2018-09-19 00:35:51
• 更新时间：2024-01-11 11:06:36

名称

• 中文名: 活性黄39
• 英文名: Disodium 4-{4-[(E)-{5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl} diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2,5-dichlor obenzenesulfonate

物化性质

• 分子式: C₁₉H₁₂BrCl₂N₅Na₂O₈S₂
• 分子量: 699.24700
• 精确质量: 696.84800
• PSA: 221.14000
• LogP: 6.05050
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:11

  4.可旋转化学键数量:5

  5.互变异构体数量:8

  6.拓扑分子极性表面积:218

  7.重原子数量:39

  8.表面电荷:0

  9.复杂度:1190

  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:3

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : GE5150000 CHEMICAL NAME : C.I. Reactive Yellow 39 CAS REGISTRY NUMBER : 12226-61-8 LAST UPDATED : 199504 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 1 mg/plate REFERENCE : ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 2,405,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1262 No. of Facilities: 20 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 5069 (estimated) No. of Female Employees: 4359 (estimated)