1-Bromo-5-fluoropentane
Properties
- Molecular formula
- C5H10BrF
- Molar mass
- 169.04 g/mol
- Exact mass
- 167.9950 Da
- Density
- 1.3604 g/mL (at 25 °C)
- Boiling point
- 162 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
407-97-6SMILES
FCCCCCBrInChIKey
GMYIZICPHREVDH-UHFFFAOYSA-NInChI
InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Pentane, 1-bromo-5-fluoro-
Work with 1-Bromo-5-fluoropentane
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-4-fluorobutane462-72-693 % similar
1-Bromo-3-fluoropropane352-91-075 % similar
1,5-Dibromopentane111-24-060 % similar
1,11-Dibromoundecane16696-65-460 % similar
1,12-Dibromododecane3344-70-560 % similar
1,10-Dibromodecane4101-68-260 % similar
1,16-Dibromohexadecane45223-18-560 % similar
1,7-Dibromoheptane4549-31-960 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.