4-Bromo-2-fluoroaniline

C₆H₅BrFNCAS 367-24-8190.02 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrFN
Molar mass: 190.02 g/mol
Exact mass: 188.9589 Da
Melting point: 40–42 °C
logP: 2.17Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed14.8% of notifiers
H312 Harmful in contact with skin14.8% of notifiers
H315 Causes skin irritation92.6% of notifiers
H319 Causes serious eye irritation92.6% of notifiers
H332 Harmful if inhaled14.8% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 54 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

367-24-8

SMILES

Nc1ccc(Br)cc1F

InChIKey

GZRMNMGWNKSANY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-bromo-2-fluoro-
Aniline, 4-bromo-2-fluoro-
4-Bromo-2-fluorobenzenamine
2-Fluoro-4-bromoaniline
4-Bromo-2-fluorophenylamine

Work with 4-Bromo-2-fluoroaniline

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

4-Bromobenzene-1,2-diamine1575-37-760 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 4-Amino-3-fluorophenol399-95-157 % similar 1,4-Dibromo-2-fluorobenzene1435-52-556 % similar 2,4-Difluoroaniline367-25-956 % similar 2,4-Dibromoaniline615-57-656 % similar 4,4'-Dibromobiphenyl-2,2'-diamine136630-36-952 % similar 4-Bromo-2,6-difluoroaniline67567-26-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-fluoroaniline1003-98-1 2-Bromo-5-fluorobenzenamine1003-99-2 2-Bromo-3-fluoroaniline111721-75-6 4-Bromo-2-fluoro-3-methylpyridine128071-79-4 3-Bromo-5-fluoroaniline134168-97-1 3-Bromo-2-fluoro-5-methylpyridine17282-01-8 2-Bromo-6-fluoro-4-methylpyridine180608-37-1 5-Bromo-2-fluorobenzenamine2924-09-6

Elsewhere

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