2,5-Bis(trifluoromethyl)aniline

C₈H₅F₆NCAS 328-93-8229.13 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₈H₅F₆N
Molar mass: 229.13 g/mol
Exact mass: 229.0326 Da
logP: 3.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed91.1% of notifiers
H312 Harmful in contact with skin89.3% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H332 Harmful if inhaled89.3% of notifiers
H335 May cause respiratory irritation78.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.7% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

328-93-8

SMILES

C1=CC(=C(C=C1C(F)(F)F)N)C(F)(F)F

InChIKey

XWMVIJUAZAEWIE-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2

Weigh it out

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

Work with 2,5-Bis(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

3,4-Diaminobenzotrifluoride368-71-869 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-462 % similar 5-Fluoro-2-(trifluoromethyl)aniline827-20-362 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-660 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-660 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-160 % similar 2-Bromo-5-trifluoromethylaniline454-79-560 % similar 3,5-Bis(trifluoromethyl)-1,2-diaminobenzene367-65-757 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzenamine328-74-5 2,4-Bis(trifluoromethyl)aniline367-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook