1,4-Dibromo-2-(trifluoromethyl)benzene
Properties
- Molecular formula
- C7H3Br2F3
- Molar mass
- 303.90 g/mol
- Exact mass
- 301.8554 Da
- Melting point
- 49–50 °C
- Boiling point
- 206–207 °C
- logP
- 4.23Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7657-09-2SMILES
FC(F)(F)c1cc(Br)ccc1BrInChIKey
VWKFJAOCLPPQGR-UHFFFAOYSA-NInChI
InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 1,4-dibromo-2-(trifluoromethyl)-
- Toluene, 2,5-dibromo-α,α,α-trifluoro-
- 2,5-Dibromobenzotrifluoride
- 2,5-Dibromo-α,α,α-trifluorotoluene
- 2,5-Dibromo-1-(trifluoromethyl)benzene
- 2,5-Dibromo(trifluoromethyl)benzene
- NSC 88275
Work with 1,4-Dibromo-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
2-Bromo-5-fluorobenzotrifluoride40161-55-568 % similar
4-Bromo-3-(trifluoromethyl)phenol320-49-066 % similar
1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-364 % similar
5-Bromo-2-fluorobenzotrifluoride393-37-362 % similar
4-Bromo-2-(trifluoromethyl)phenol50824-04-962 % similar
2-Bromo-5-methylbenzotrifluoride261952-20-960 % similar
1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-060 % similar
4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.