1-Bromo-4-propylbenzene
Properties
- Molecular formula
- C9H11Br
- Molar mass
- 199.09 g/mol
- Exact mass
- 198.0044 Da
- Density
- 1.283 g/mL (at 20 °C)
- Melting point
- −41.53 °C
- Boiling point
- 85–86 °C
- logP
- 3.40Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation95.6% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
588-93-2SMILES
CCCc1ccc(Br)cc1InChIKey
NUPWGLKBGVNSJX-UHFFFAOYSA-NInChI
InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, 1-bromo-4-propyl-
- NSC 97222
- 1-Propyl-4-bromobenzene
- 4-n-Propylbromobenzene
- 4-Propylphenylbromide
- 4-Bromopropylbenzene
- 4-Propyl-1-bromobenzene
- 4-Propylbromobenzene
Work with 1-Bromo-4-propylbenzene
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
4-Bromo-4'-propylbiphenyl58743-81-086 % similar
1-Bromo-4-butylbenzene41492-05-174 % similar
1-Bromo-4-pentylbenzene51554-95-171 % similar
1-Bromo-4-dodecylbenzene126930-72-168 % similar
1-(4-Bromophenyl)hexane23703-22-268 % similar
1-(4-Bromophenyl)octane51554-93-968 % similar
1-Bromo-4-nonylbenzene51554-94-068 % similar
1-Bromo-4-N-heptylbenzene76287-49-568 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds