1-(Dichloromethyl)-2-(trifluoromethyl)benzene

C₈H₅Cl₂F₃CAS 707-72-2229.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅Cl₂F₃
Molar mass: 229.02 g/mol
Exact mass: 227.9720 Da
Boiling point: 188–190 °C
logP: 4.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

707-72-2

SMILES

FC(F)(F)c1ccccc1C(Cl)Cl

InChIKey

JIJFXGFHPXLJME-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzene, 1-(dichloromethyl)-2-(trifluoromethyl)-
o-Xylene, α′,α′-dichloro-α,α,α-trifluoro-
o-Trifluoromethylbenzal chloride
2-Trifluoromethylbenzal chloride

Work with 1-(Dichloromethyl)-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-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-361 % similar 1,2-Bis(dichloromethyl)benzene25641-99-054 % similar 1,2-Bis(trifluoromethyl)benzene433-95-454 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-353 % similar 1-(Dichloromethyl)-2-fluorobenzene320-65-048 % similar 2-Chlorobenzotrifluoride88-16-448 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar 2-Fluorobenzotrifluoride392-85-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-9 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-0 2,4-Dichloro-5-methylbenzotrifluoride115571-61-4

Elsewhere

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