4-Fluorobromobenzene
Properties
- Molecular formula
- C6H4BrF
- Molar mass
- 175.00 g/mol
- Exact mass
- 173.9480 Da
- Density
- 1.7282 g/mL (at 21 °C)
- Melting point
- −17.4 °C
- Boiling point
- 151.5 °C
- Flash point
- 60 °C
- logP
- 2.59Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor98.8% of notifiers
- H302 Harmful if swallowed33.5% of notifiers
- H312 Harmful in contact with skin33.5% of notifiers
- H315 Causes skin irritation66.5% of notifiers
- H319 Causes serious eye irritation78.9% of notifiers
- H332 Harmful if inhaled89.4% of notifiers
- H335 May cause respiratory irritation64.6% of notifiers
Aggregated from 161 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
460-00-4SMILES
Fc1ccc(Br)cc1InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-NInChI
InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzene, 1-bromo-4-fluoro-
- 1-Bromo-4-fluorobenzene
- p-Fluorobromobenzene
- 1-Fluoro-4-bromobenzene
- p-Bromofluorobenzene
- p-Fluorophenyl bromide
- 4-Bromofluorobenzene
- 4-Fluorophenyl bromide
- 4-Fluoro-1-bromobenzene
- 4-Fluorobenzene bromide
- 4-Bromo-1-fluorobenzene
- 4-Bromophenyl fluoride
- NSC 10268
- NSC 9460
- p-Bromophenyl fluoride
Work with 4-Fluorobromobenzene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Bromo-4'-fluoro-1,1'-biphenyl398-21-083 % similar
1,4-Dibromobenzene106-37-660 % similar
1,4-Difluorobenzene540-36-360 % similar
2-Bromo-6-fluoronaphthalene324-41-457 % similar
1,3-Dibromo-5-fluorobenzene1435-51-450 % similar
4,4''-Dibromo-P-terphenyl17788-94-250 % similar
4-Fluorophenol371-41-550 % similar
4,4′-Difluorobiphenyl398-23-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds