3-Bromopentane
Properties
- Molecular formula
- C5H11Br
- Molar mass
- 151.05 g/mol
- Exact mass
- 150.0044 Da
- Density
- 1.2171 g/mL (at 20 °C)
- Melting point
- −126.2 °C
- Boiling point
- 118.6 °C
- logP
- 2.57Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.2% of notifiers
Aggregated from 56 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1809-10-5SMILES
CCC(Br)CCInChIKey
VTOQFOCYBTVOJZ-UHFFFAOYSA-NInChI
InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Pentane, 3-bromo-
- 3-Pentyl bromide
Work with 3-Bromopentane
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
1,2-Dibromobutane533-98-265 % similar
3-Bromohexane3377-87-561 % similar
3-Bromoheptane1974-05-655 % similar
2-Bromobutane78-76-244 % similar
Hexabromocyclododecane25637-99-440 % similar
Bromocyclopropane4333-56-640 % similar
1-Bromo-2-ethylbutane3814-34-437 % similar
Bromocyclopentane137-43-935 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds