5-Bromo-2-fluorobenzenamine

C₆H₅BrFNCAS 2924-09-6190.02 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
Boiling point: 91–92 °C (at 9 Torr)
logP: 2.17Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled75% of notifiers

Aggregated from 4 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, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2924-09-6

SMILES

Nc1cc(Br)ccc1F

InChIKey

ADWKOCXRCRSMLQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 5-bromo-2-fluoro-
5-Bromo-2-fluoroaniline
(5-Bromo-2-fluorophenyl)amine
2-Fluoro-5-bromoaniline

Work with 5-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-fluoroaniline367-24-869 % similar 4-Bromobenzene-1,2-diamine1575-37-760 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 4,4'-Dibromobiphenyl-2,2'-diamine136630-36-958 % similar 3-Amino-4-fluorophenol62257-16-357 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 2,5-Dibromoaniline3638-73-156 % similar 2,5-Difluoroaniline367-30-656 % 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-fluoro-3-methylpyridine29312-98-9

Elsewhere

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