4-Bromo-3-fluoroaniline

C₆H₅BrFNCAS 656-65-5190.02 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

Warning

H302 Harmful if swallowed10.4% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled10.4% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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

656-65-5

SMILES

C1=CC(=C(C=C1N)F)Br

InChIKey

YTMVYYAKOPIJCZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-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

3-Bromo-4-fluorobenzenamine656-64-469 % similar 3,4-Difluoroaniline3863-11-460 % similar 3,4-Dibromobenzenamine615-55-460 % similar 1,4-Dibromo-2-fluorobenzene1435-52-556 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-855 % similar 1,5-Dibromo-2,4-difluorobenzene28342-75-854 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % 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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