2-Methyl-3-(trifluoromethyl)aniline

C₈H₈F₃NCAS 54396-44-0175.15 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₈H₈F₃N
Molar mass: 175.15 g/mol
Exact mass: 175.0609 Da
logP: 2.60Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed31.7% of notifiers
H312 Harmful in contact with skin11.7% of notifiers
H314 Causes severe skin burns and eye damage18.3% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage18.3% of notifiers
H319 Causes serious eye irritation80% of notifiers
H330 Fatal if inhaled18.3% of notifiers
H332 Harmful if inhaled11.7% of notifiers
H335 May cause respiratory irritation68.3% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

54396-44-0

SMILES

Cc1c(N)cccc1C(F)(F)F

InChIKey

TWLDBACVSHADLI-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 2-methyl-3-(trifluoromethyl)-
2-Methyl-3-(trifluoromethyl)benzenamine
3-(Trifluoromethyl)-2-methylaniline
2-Amino-6-(trifluoromethyl)toluene
2-Methyl-3-aminobenzotrifluoride
2-Methyl-3-(trifluoromethyl)phenylamine
3-(Trifluoromethyl)-2-methylbenzenamine
Trifluoromethyl toluidine

Work with 2-Methyl-3-(trifluoromethyl)aniline

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-(Trifluoromethyl)aniline88-17-565 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-162 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-862 % similar 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-662 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-960 % similar 2,6-Diaminotoluene823-40-558 % similar 2-Amino-5-methylbenzotrifluoride87617-23-055 % similar 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene261952-16-355 % similar

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

Same formula

N-Methyl-2-(trifluoromethyl)benzenamine14925-10-1 4-Trifluoromethyl-N-methylaniline 9722864-65-9 2-Methyl-5-(trifluoromethyl)aniline25449-96-1 3-(Trifluoromethyl)benzylamine2740-83-2 2-(Trifluoromethyl)benzylamine3048-01-9 4-(Trifluoromethyl)benzylamine3300-51-4 4-Methyl-3-(trifluoromethyl)aniline65934-74-9 4-Amino-3-methylbenzotrifluoride67169-22-6

Elsewhere

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