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名称

4-氨基-2-(三氟甲基)苯甲腈

别名

2-三氟甲基-4-氨基苯腈,4-氨基-2-三氟甲基苯腈 | 4-氰基-3-三氟甲基苯胺 | 5-氨基-2-氰基三氟甲苯

英文别名

4-Amino-alpha,alpha,alpha-trifluoro-o-tolunitrile | Bicalutamide Imp. D (EP); 4-Amino-2-(trifluoromethyl)benzonitrile; 5-Amino-2-cyanobenzotrifluoride; Bicalutamide Impurity D | EN300-92112 | FT-0652695 | Benzonitrile, 4-amino-2-(trifluoromethyl)- | 5-Ami

英文名称

4-Amino-2-(trifluoromethyl)benzonitrile

货号

A113929-10g

包装规格

10g

浓度

≥97%

运输条件

常规运输

敏感性

对空气敏感

产品介绍

4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells 4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells

CAS号

654-70-6

分子式

C8H5F3N2

分子量

186.13 g/mol

Beilstein号

14(4)1349

EC号

MFCD00042155

MDL号

MFCD00042155

PubChem编号

522170

Isomeric SMILES

C1=CC(=C(C=C1N)C(F)(F)F)C#N

IIUPAC Name

4-amino-2-(trifluoromethyl)benzonitrile

INCHI

1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2

InChi Key

PMDYLCUKSLBUHO-UHFFFAOYSA-N

Smiles

C1=CC(=C(C=C1N)C(F)(F)F)C#N

PubChem SID

488190116

溶解性

可溶于甲醇

熔点

136-139°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

186.04 Da

单同位素质量Monoisotopic Mass

186.04 Da

拓扑极表面积Topological Polar Surface Area

49.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

227

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.8

密度

1.37

Reaxy-Rn

3278074

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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