2-Amino-3,5-dibromobenzotrifluoride

C₇H₄Br₂F₃NCAS 71757-14-7318.92 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₄Br₂F₃N
Molar mass: 318.92 g/mol
Exact mass: 316.8663 Da
logP: 3.81Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% 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

71757-14-7

SMILES

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

InChIKey

ZYBKXMTWWFTYKN-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2

Weigh it out

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

Names and synonyms

1 names

2,4-Dibromo-6-(trifluoromethyl)aniline

Work with 2-Amino-3,5-dibromobenzotrifluoride

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-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine875664-27-066 % similar 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-366 % similar 2,4,6-Tribromoaniline147-82-059 % similar 4-Bromo-2-nitro-6-(trifluoromethyl)aniline157026-18-154 % similar 2,4-Dibromo-6-fluoroaniline141474-37-553 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-253 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-350 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3,5-dibromobenzotrifluoride72678-19-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook