1-Bromo-2-fluorobenzene

C₆H₄BrFCAS 1072-85-1175.00 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₄BrF
Molar mass: 175.00 g/mol
Exact mass: 173.9480 Da
Density: 1.6046 g/mL (at 25 °C)
Boiling point: 151 °C (at 755 Torr)
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed13.7% of notifiers
H315 Causes skin irritation86.3% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation86.3% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1072-85-1

SMILES

Fc1ccccc1Br

InChIKey

IPWBFGUBXWMIPR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H

Weigh it out

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

Names and synonyms

11 names

Benzene, 1-bromo-2-fluoro-
o-Fluorobromobenzene
1-Fluoro-2-bromobenzene
o-Bromofluorobenzene
2-Bromofluorobenzene
2-Fluorobromobenzene
2-Bromophenyl fluoride
NSC 59696
2-Bromo-1-fluorobenzene
2-Fluorophenyl bromide
2-Fluoro-1-bromobenzene

Reactions

1-BROMO-2-FLUOROBENZENE (Benzene, 1-bromo-2-fluoro-)product

Work with 1-Bromo-2-fluorobenzene

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-Bromo-2,3-difluorobenzene38573-88-559 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-859 % similar 1,2-Difluorobenzene367-11-359 % similar 1-Bromo-2-chloro-3-fluorobenzene883499-24-957 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-454 % similar 2-Bromo-6-fluorophenol2040-89-354 % similar 1-Bromo 4-fluoronaphthalene341-41-354 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-3-fluorobenzene1073-06-9 4-Fluorobromobenzene460-00-4

Elsewhere

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