2-Bromo-3-fluoroaniline

C₆H₅BrFNCAS 111721-75-6190.02 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: 32–34 °C
logP: 2.17Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation18.2% of notifiers
H319 Causes serious eye irritation18.2% of notifiers
H331 Toxic if inhaled81.8% of notifiers
H335 May cause respiratory irritation18.2% of notifiers

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

111721-75-6

SMILES

Nc1cccc(F)c1Br

InChIKey

XZRSXRUYZXBTGD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzenamine, 2-bromo-3-fluoro-
2-Bromo-3-fluorobenzenamine

Work with 2-Bromo-3-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

2-Bromo-1,3-difluorobenzene64248-56-265 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-858 % similar 2-Fluoroaniline348-54-956 % similar 2,3-Difluoroaniline4519-40-856 % similar 2-Bromo-3,4-difluoroaniline1092349-87-555 % similar 2-Chloro-3-fluorobenzenamine21397-08-054 % similar 2-Bromo-1-chloro-3-fluorobenzene309721-44-654 % similar 3-Fluoro-2-methylaniline443-86-754 % 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 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 5-Bromo-2-fluoro-3-methylpyridine29312-98-9

Elsewhere

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