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133-66-4

133-66-4结构式

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

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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

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