1-Bromo-2-fluoro-3-methylbenzene
Properties
- Molecular formula
- C7H6BrF
- Molar mass
- 189.03 g/mol
- Exact mass
- 187.9637 Da
- Boiling point
- 185–186 °C
- logP
- 2.90Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
59907-12-9SMILES
Cc1cccc(Br)c1FInChIKey
LZVNGSFAHGKCDM-UHFFFAOYSA-NInChI
InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1-bromo-2-fluoro-3-methyl-
- 3-Bromo-2-fluorotoluene
Work with 1-Bromo-2-fluoro-3-methylbenzene
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
2-Fluoro-1,3-dimethylbenzene443-88-968 % similar
2-Fluoro-3-methylaniline1978-33-259 % similar
1,2-Difluoro-3-methylbenzene3828-49-758 % similar
1-Chloro-2-fluoro-3-methylbenzene85089-31-256 % similar
2-Bromotoluene95-46-554 % similar
1-Bromo-2,3-difluorobenzene38573-88-554 % similar
1-Bromo-2,3-dimethylbenzene576-23-854 % similar
2-Fluoro-3-methylphenol77772-72-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.