2-Amino-4-(trifluoromethyl)benzonitrile

C₈H₅F₃N₂CAS 1483-54-1186.14 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile Primary amine

Properties

Molecular formula: C₈H₅F₃N₂
Molar mass: 186.14 g/mol
Exact mass: 186.0405 Da
Melting point: 86–89 °C
Boiling point: 122–127 °C (at 7 Torr)
logP: 2.16Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1483-54-1

SMILES

N#Cc1ccc(C(F)(F)F)cc1N

InChIKey

IAIRNHIXDCZUCV-UHFFFAOYSA-N

InChI

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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzonitrile, 2-amino-4-(trifluoromethyl)-
p-Tolunitrile, 2-amino-α,α,α-trifluoro-
2-Cyano-5-trifluoromethylaniline
4-(Trifluoromethyl)anthranilonitrile

Work with 2-Amino-4-(trifluoromethyl)benzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-062 % similar 2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-960 % similar 2-Bromo-5-(trifluoromethyl)benzonitrile1483-55-256 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-056 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-651 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-651 % similar 2-Amino-4-methylbenzonitrile26830-96-651 % similar 2-Amino-4-chlorobenzonitrile38487-86-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Trifluoromethyl)-1H-benzimidazole312-73-2 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-3 4-Cyano-3-(trifluoromethyl)aniline654-70-6

Elsewhere

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