1-Bromo-4-methylpentane
Properties
- Molecular formula
- C6H13Br
- Molar mass
- 165.07 g/mol
- Exact mass
- 164.0201 Da
- Density
- 1.1683 g/mL (at 20 °C)
- Boiling point
- 145 °C
- logP
- 2.82Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed97.6% of notifiers
- H319 Causes serious eye irritation95.2% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
626-88-0SMILES
CC(C)CCCBrInChIKey
XZKFBZOAIGFZSU-UHFFFAOYSA-NInChI
InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Pentane, 1-bromo-4-methyl-
- 4-Methylpentyl bromide
- Isohexyl bromide
- Isopentylmethyl bromide
- NSC 159166
- 4-Methyl-1-bromopentane
Work with 1-Bromo-4-methylpentane
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-methylhexane35354-37-183 % similar
1-Bromo-3-methylbutane107-82-467 % similar
2,7-Dimethyloctane1072-16-859 % similar
1,4-Dibromopentane626-87-955 % similar
Pristane1921-70-648 % similar
2-Methylhexane31394-54-448 % similar
2-Methylhexane591-76-448 % similar
2,5-Dimethylhexane592-13-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds