1-Bromo-2-ethylbenzene
Properties
- Molecular formula
- C8H9Br
- Molar mass
- 185.06 g/mol
- Exact mass
- 183.9888 Da
- Melting point
- −67.9 °C
- Boiling point
- 199.3 °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 irritation93.8% of notifiers
- H319 Causes serious eye irritation93.8% of notifiers
- H335 May cause respiratory irritation91.7% of notifiers
Aggregated from 48 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
1973-22-4SMILES
CCc1ccccc1BrInChIKey
HVRUGFJYCAFAAN-UHFFFAOYSA-NInChI
InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1-bromo-2-ethyl-
- o-Bromoethylbenzene
- 2-Bromo-1-ethylbenzene
- 2-Ethylbromobenzene
- o-Ethylbromobenzene
- 1-Ethyl-2-bromobenzene
Work with 1-Bromo-2-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
1,2-Diethylbenzene135-01-365 % similar
2-Bromobenzyl bromide3433-80-554 % similar
2-Bromobenzyl mercaptan143888-85-152 % similar
2-Bromobenzyl alcohol18982-54-252 % similar
2-Bromobenzylamine3959-05-552 % similar
2-Bromobenzyl chloride578-51-852 % similar
1-Ethyl-2-methylbenzene611-14-352 % similar
(2-Bromobenzyl)methylamine698-19-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds