1-Bromo-2-(trifluoromethyl)benzene
Properties
- Molecular formula
- C7H4BrF3
- Molar mass
- 225.01 g/mol
- Exact mass
- 223.9448 Da
- Density
- 1.664 g/mL (at 25 °C)
- Melting point
- 149.3–149.6 °C
- Boiling point
- 167.5 °C
- logP
- 3.47Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor91.7% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
392-83-6SMILES
FC(F)(F)c1ccccc1BrInChIKey
RWXUNIMBRXGNEP-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzene, 1-bromo-2-(trifluoromethyl)-
- Toluene, o-bromo-α,α,α-trifluoro-
- o-(Trifluoromethyl)bromobenzene
- 2-Bromobenzotrifluoride
- o-Bromobenzotrifluoride
- o-Bromo-α,α,α-trifluorotoluene
- 2-(Trifluoromethyl)bromobenzene
- 2-Bromo-α,α,α-trifluorotoluene
- o-(Trifluoromethyl)phenyl bromide
- 2-Bromo(trifluoromethyl)benzene
- o-Bromo(trifluoromethyl)benzene
- 2-(Trifluoromethyl)phenyl bromide
- 1-Bromo-2-(1,1,1-trifluoromethyl)benzene
- 2-(Trifluoromethyl)-1-bromobenzene
- 2-Bromo-1-trifluoromethylbenzene
Work with 1-Bromo-2-(trifluoromethyl)benzene
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-Bis(trifluoromethyl)benzene433-95-465 % similar
3-Bromo-2-fluorobenzotrifluoride144584-67-862 % similar
1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-662 % similar
2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-358 % similar
1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-356 % similar
1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-256 % similar
2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-954 % similar
2-Bromo-5-fluorobenzotrifluoride40161-55-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds