1-Bromo-3-ethylbenzene
Properties
- Molecular formula
- C8H9Br
- Molar mass
- 185.06 g/mol
- Exact mass
- 183.9888 Da
- Density
- 1.3493 g/mL (at 20 °C)
- Boiling point
- 200–208 °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 irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 9 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
2725-82-8SMILES
CCc1cccc(Br)c1InChIKey
ZRFJYAZQMFCUIX-UHFFFAOYSA-NInChI
InChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1-bromo-3-ethyl-
- m-Bromoethylbenzene
- m-Ethylbromobenzene
- 3-Ethylbromobenzene
- 3-Bromo-1-ethylbenzene
- (3-Ethylphenyl)bromide
- 1-Ethyl-3-bromobenzene
Work with 1-Bromo-3-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
1,3-Diethylbenzene141-93-565 % similar
3-Bromobenzyl bromide823-78-959 % similar
3-Bromobenzylamine10269-01-957 % similar
3-Bromobenzenemethanol15852-73-057 % similar
1-Bromo-3-(chloromethyl)benzene932-77-457 % similar
(3-Bromobenzyl)methylamine67344-77-857 % similar
1-Ethyl-3-methylbenzene620-14-454 % similar
3-Bromophenethyl alcohol28229-69-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds