1-Bromo-4-fluorobutane
Properties
- Molecular formula
- C4H8BrF
- Molar mass
- 155.01 g/mol
- Exact mass
- 153.9793 Da
- Density
- 1.4298 g/mL (at 35 °C)
- Boiling point
- 135 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor97.7% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation95.5% of notifiers
Aggregated from 44 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
462-72-6SMILES
FCCCCBrInChIKey
WMCUHRDQSHQNRW-UHFFFAOYSA-NInChI
InChI=1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Butane, 1-bromo-4-fluoro-
- 4-Bromo-1-fluorobutane
Work with 1-Bromo-4-fluorobutane
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-Bromo-5-fluoropentane407-97-693 % similar
1-Bromo-3-fluoropropane352-91-080 % similar
1,4-Dibromobutane110-52-157 % similar
1-Bromo-2-fluoroethane762-49-256 % similar
1,5-Dibromopentane111-24-053 % similar
1,11-Dibromoundecane16696-65-453 % similar
1,12-Dibromododecane3344-70-553 % similar
1,10-Dibromodecane4101-68-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.