1-Bromo-3,4-difluorobenzene
Properties
- Molecular formula
- C6H3BrF2
- Molar mass
- 192.99 g/mol
- Exact mass
- 191.9386 Da
- Boiling point
- 151.5–152.5 °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 vapor100% of notifiers
- H302 Harmful if swallowed36.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction36.5% of notifiers
- H319 Causes serious eye irritation63.5% of notifiers
- H332 Harmful if inhaled36.5% of notifiers
- H335 May cause respiratory irritation62.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects36.5% of notifiers
Aggregated from 74 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, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
348-61-8SMILES
Fc1ccc(Br)cc1FInChIKey
YMQPKONILWWJQG-UHFFFAOYSA-NInChI
InChI=1S/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 4-bromo-1,2-difluoro-
- 4-Bromo-1,2-difluorobenzene
- 3,4-Difluorobromobenzene
- NSC 10251
- 3,4-Difluoro-1-bromobenzene
Work with 1-Bromo-3,4-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
1,4-Dibromo-2-fluorobenzene1435-52-565 % similar
2,4-Dibromo-1-fluorobenzene1435-53-665 % similar
4-Bromo-2-fluoro-1-iodobenzene105931-73-560 % similar
5-Bromo-2-fluorophenol112204-58-760 % similar
3-Iodo-4-fluorobromobenzene116272-41-460 % similar
4-Bromo-2-fluorophenol2105-94-460 % similar
5-Bromo-2-fluorobenzenamine2924-09-660 % similar
4-Bromo-2-fluoroaniline367-24-860 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.