4-Bromo-2,6-difluoroaniline

C₆H₄BrF₂NCAS 67567-26-4208.01 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 swallowed95.9% of notifiers
H312 Harmful in contact with skin87.8% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled87.8% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 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

67567-26-4

SMILES

C1=C(C=C(C(=C1F)N)F)Br

InChIKey

BFQSQUAVMNHOEF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-2,6-difluoroaniline

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

2,4-Dibromo-6-fluoroaniline141474-37-575 % similar 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-364 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-957 % similar 2,4,6-Trifluorobenzenamine363-81-557 % similar 2-Amino-5-bromo-3-fluorobenzoic acid874784-14-256 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 2,6-Difluoro-4-iodoaniline141743-49-952 % 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-2,3-difluorobenzenamine112279-72-8 4-Bromo-3,5-difluoroaniline203302-95-8 2-Bromo-4,6-difluorobenzenamine444-14-4 5-Bromo-2,4-difluoroaniline452-92-6 3-Bromo-4,5-difluorobenzenamine875664-41-8

Elsewhere

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