4-Bromo-2,3-difluorobenzenamine

C₆H₄BrF₂NCAS 112279-72-8208.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrF₂N
Molar mass: 208.01 g/mol
Exact mass: 206.9495 Da
logP: 2.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

112279-72-8

SMILES

Nc1ccc(Br)c(F)c1F

InChIKey

UEVLRVBHLWKNEN-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrF2N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 4-bromo-2,3-difluoro-
4-Bromo-2,3-difluoroaniline
(4-Bromo-2,3-difluorophenyl)amine

Work with 4-Bromo-2,3-difluorobenzenamine

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-Bromo-2-fluorobenzenamine58534-95-568 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-967 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-764 % similar 1-Bromo-2,3,4-trifluorobenzene176317-02-554 % similar 2,3,4-Trifluoroaniline3862-73-554 % similar 4-Bromo-2,3-difluorophenol144292-32-050 % similar 4-Amino-2,3-difluorophenol163733-99-150 % similar 2-Bromo-4-fluoroaniline1003-98-148 % similar

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

Same formula

2-Bromo-3,4-difluoroaniline1092349-87-5 4-Bromo-2,5-difluoroaniline112279-60-4 4-Bromo-3,5-difluoroaniline203302-95-8 2-Bromo-4,6-difluorobenzenamine444-14-4 5-Bromo-2,4-difluoroaniline452-92-6 4-Bromo-2,6-difluoroaniline67567-26-4 3-Bromo-4,5-difluorobenzenamine875664-41-8

Elsewhere

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