133-66-4

• 常用中文名：荧光增白剂9
• 常用英文名：Fluorescent Brightener 9
• CAS号：133-66-4
• 分子式：C₄₄H₃₄N₁₂Na₂O₆S₂
• 分子量：936.92700
• 相关类别： 催化剂及助剂 荧光增白剂
• 发布时间：2018-12-25 17:37:19
• 更新时间：2024-01-30 18:47:52

名称

• 中文名: 2,2-(1,2-亚乙)双[5-[4,6-双(苯基氨基)-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐
• 英文名: disodium,5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
• 英文别名: Compound 19-28; Calcofluor White MR; Belophor OD; TINOPAL SOP; Blankophor HZPA; EINECS 205-117-2; C.I. Fluorescent Brightener 9; Cellu-brite

物化性质

• 分子式: C₄₄H₃₄N₁₂Na₂O₆S₂
• 分子量: 936.92700
• 精确质量: 936.19600
• PSA: 280.68000
• LogP: 11.09640
• 储存条件: 库房通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:6

  3.氢键受体数量:18

  4.可旋转化学键数量:14

  5.互变异构体数量:105

  6.拓扑分子极性表面积281

  7.重原子数量:66

  8.表面电荷:0

  9.复杂度:1460

  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:1

  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

毒理学数据: 口服-大鼠 LD50: >10000 毫克/公斤; 腹腔-大鼠 LD50: 1090 毫克/公斤。 CHEMICAL IDENTIFICATION RTECS NUMBER : WJ6205000 CHEMICAL NAME : 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4,6-dianilino-s-triazin-2-yl)amino)-, disodium salt CAS REGISTRY NUMBER : 133-66-4 LAST UPDATED : 199701 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C44-H36-N12-O6-S2.2Na HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1090 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : >7 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,176,1963 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 42 gm/kg/30D-I TOXIC EFFECTS : Endocrine - changes in adrenal weight Blood - change in clotting factors Blood - changes in leukocyte (WBC) count REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984