3-Bromo-2-fluorobenzenamine

C₆H₅BrFNCAS 58534-95-5190.02 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
logP: 2.17Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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

58534-95-5

SMILES

Nc1cccc(Br)c1F

InChIKey

HYPQOSVTIONWSN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 3-bromo-2-fluoro-
3-Bromo-2-fluorophenylamine
3-Bromo-2-fluoroaniline

Work with 3-Bromo-2-fluorobenzenamine

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-Bromo-2,3-difluorobenzenamine112279-72-868 % similar 2-Fluoro-3-methylaniline1978-33-259 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-759 % similar 2,3-Difluoroaniline4519-40-858 % similar 3-Chloro-2-fluorobenzenamine2106-04-956 % similar 2-Bromoaniline615-36-154 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-952 % 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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