1-Bromo-4-ethylbenzene
Properties
- Molecular formula
- C8H9Br
- Molar mass
- 185.06 g/mol
- Exact mass
- 183.9888 Da
- Density
- 1.3478 g/mL (at 20 °C)
- Melting point
- −43.5 °C
- Boiling point
- 204 °C
- logP
- 3.01Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation86.4% of notifiers
- H319 Causes serious eye irritation86.4% of notifiers
- H335 May cause respiratory irritation81.8% of notifiers
Aggregated from 22 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
1585-07-5SMILES
CCc1ccc(Br)cc1InChIKey
URFPRAHGGBYNPW-UHFFFAOYSA-NInChI
InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, 1-bromo-4-ethyl-
- p-Bromoethylbenzene
- 4-Ethylbromobenzene
- p-Ethylbromobenzene
- 4-Ethyl-1-bromobenzene
- 4-Ethylphenyl bromide
- 4-Bromoethylbenzene
- p-Ethylphenyl bromide
- NSC 60144
- 1-Ethyl-4-bromobenzene
Work with 1-Bromo-4-ethylbenzene
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'-ethylbiphenyl58743-79-686 % similar
1,4-Diethylbenzene105-05-567 % similar
1-Bromo-4-propylbenzene588-93-261 % similar
4-Ethylphenol123-07-957 % similar
1-Bromo-4-butylbenzene41492-05-156 % similar
1-Bromo-4-pentylbenzene51554-95-154 % similar
4-Bromo-4'-propylbiphenyl58743-81-054 % similar
4-Bromobenzyl bromide589-15-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds