2,4-Dichlorobenzotrifluoride
Properties
- Molecular formula
- C7H3Cl2F3
- Molar mass
- 215.00 g/mol
- Exact mass
- 213.9564 Da
- Melting point
- −26 °C
- Boiling point
- 177.52 °C
- logP
- 4.01Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
320-60-5SMILES
FC(F)(F)c1ccc(Cl)cc1ClInChIKey
KALSHRGEFLVFHE-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 2,4-dichloro-1-(trifluoromethyl)-
- Toluene, 2,4-dichloro-α,α,α-trifluoro-
- 2,4-Dichloro-1-(trifluoromethyl)benzene
- 1,3-Dichloro-4-(trifluoromethyl)benzene
- 2,4-Dichloro-α,α,α-trifluorotoluene
- 2,4-Dichloro(trifluoromethyl)benzene
Work with 2,4-Dichlorobenzotrifluoride
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-Chloro-4-methylbenzotrifluoride74483-46-862 % similar
2-Chloro-4-fluoro-1-(trifluoromethyl)benzene94444-58-362 % similar
4-Chloro-2-fluorobenzotrifluoride94444-59-462 % similar
2,4-Dichlorobenzotrichloride13014-18-161 % similar
3-Chloro-4-trifluoromethylaniline445-13-660 % similar
4-Bromo-2-chlorobenzotrifluoride467435-07-060 % similar
2-Chlorobenzotrifluoride88-16-459 % similar
4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds