1-Bromo-3,5-difluorobenzene
Properties
- Molecular formula
- C6H3BrF2
- Molar mass
- 192.99 g/mol
- Exact mass
- 191.9386 Da
- Density
- 1.676 g/mL (at 23 °C)
- Boiling point
- 140 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-073-00-7), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P501
Identifiers
CAS number
461-96-1SMILES
Fc1cc(F)cc(Br)c1InChIKey
JHLKSIOJYMGSMB-UHFFFAOYSA-NInChI
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, 1-bromo-3,5-difluoro-
- 3,5-Difluorobromobenzene
- 3,5-Difluoro-1-bromobenzene
- 5-Bromo-1,3-difluorobenzene
- 3,5-Difluorophenyl bromide
- 1,3-Difluoro-5-bromobenzene
Work with 1-Bromo-3,5-difluorobenzene
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
1,3-Dibromo-5-fluorobenzene1435-51-488 % similar
3-Bromo-5-fluoroaniline134168-97-164 % similar
1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar
1-Bromo-3-chloro-5-fluorobenzene33863-76-264 % similar
3-Bromo-5-fluorophenol433939-27-664 % similar
3-Fluoro-5-iodo bromobenzene845866-85-564 % similar
1,3,5-Trifluorobenzene372-38-360 % similar
3-Bromo-5-fluorobenzotrifluoride130723-13-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.