2-Bromo-3,5-bis(trifluoromethyl)aniline

C₈H₄BrF₆NCAS 174824-16-9308.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₄BrF₆N
Molar mass: 308.02 g/mol
Exact mass: 306.9431 Da
logP: 4.07Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed83.3% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

174824-16-9

SMILES

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

InChIKey

JFWWJFXUVIYKTC-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2

Weigh it out

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

Work with 2-Bromo-3,5-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

3,5-Bis(trifluoromethyl)-1,2-diaminobenzene367-65-761 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-058 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-955 % similar 2,5-Bis(trifluoromethyl)aniline328-93-853 % similar 2,4-Bis(trifluoromethyl)aniline367-71-553 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-253 % similar 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-850 % similar 2-Bromo-5-trifluoromethylaniline454-79-550 % similar

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

Same formula

2-Bromo-4,5-di(trifluoromethyl)aniline230295-15-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook