2-Bromo-4-fluoroaniline

C₆H₅BrFNCAS 1003-98-1190.02 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 swallowed18.8% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation89.6% 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

1003-98-1

SMILES

C1=CC(=C(C=C1F)Br)N

InChIKey

YLMFXCIATJJKQL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromo-4-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

1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 4-Fluoro-1,2-phenylenediamine367-31-760 % similar 2,4-Difluoroaniline367-25-956 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2,4-Dibromoaniline615-57-656 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 5-Bromo-2-fluoro-3-methylpyridine29312-98-9

Elsewhere

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