4425-97-2

• 常用中文名：9,9-二(2-氰基乙基)芴
• 常用英文名：9H-Fluorene-9,9-dipropanenitrile
• CAS号：4425-97-2
• 分子式：C₁₉H₁₆N₂
• 分子量：272.34400
• 发布时间：2018-04-13 08:00:00
• 更新时间：2024-01-24 22:07:59

名称

• 中文名: 9,9-二(2-氰基乙基)芴
• 英文名: 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
• 中文别名: 9,9-双(2-氰基乙基)芴
• 英文别名: 3,3'-Fluoren-9,9-diyl-di-propionitril; FLUORENE-9,9-DIPROPIONITRILE; Fluorene-9,9-bis(propionitrile); 3-[9-(2-cyanoethyl)-9H-fluoren-9-yl]propionitrile; 9H-Fluorene-9,9-dipropiononitrile; 9,9-bis(2-cyanoethyl)fluorene; EINECS 224-605-6; 9,9'-Bis-<2-cyan-aethyl>-fluoren; 3,3'-fluorene-9,9-diyl-di-propionitrile; 9,9-Fluorenedipropionitrile; 9H-Fluorene-9,9-dipropanenitrile

物化性质

• 密度: 1.126 g/cm3
• 沸点: 511ºC at 760mmHg
• 分子式: C₁₉H₁₆N₂
• 分子量: 272.34400
• 闪点: 249.3ºC
• 精确质量: 272.13100
• PSA: 47.58000
• LogP: 4.56066
• 折射率: 1.588
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.4

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:47.6

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:418

  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 : LL7525000 CHEMICAL NAME : Fluorene-9,9-dipropionitrile CAS REGISTRY NUMBER : 4425-97-2 BEILSTEIN REFERENCE NO. : 2622971 LAST UPDATED : 199712 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C19-H16-N2 MOLECULAR WEIGHT : 272.37 WISWESSER LINE NOTATION : L B656 HHJ H2CN H2CN 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 : 2180 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

安全

• 海关编码: 2926909090

合成路线

86-73-7 107-13-1 ~74% 4425-97-2

文献：Raoult, Eugene; Sarrazin, Jean; Tallec, Andre Tetrahedron, 1987 , vol. 43, # 22 p. 5299 - 5306

86-73-7 100-85-6 107-13-1 ~% 4425-97-2

文献：Resinous Prod. and Chem. Co. Patent: US2339218 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2280058 , 1941 ; Full Text Show Details Bruson Journal of the American Chemical Society, 1942 , vol. 64, p. 2457,2459 Journal of the American Chemical Society, 1944 , vol. 66, p. 2135

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%