1-(Chloromethyl)-2,4,5-trifluorobenzene

C7H4ClF3CAS 243139-71-1180.55 g/mol

Open in Covalent MOL file
FFClF
Alkyl halideAryl halide

Properties

Molecular formula
C7H4ClF3
Molar mass
180.55 g/mol
Exact mass
179.9954 Da
logP
2.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number
243139-71-1
SMILES
Fc1cc(F)c(CCl)cc1F
InChIKey
JMXPOOVDUVHJRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2

Weigh it out

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

Names and synonyms

2 names
  • Benzene, 1-(chloromethyl)-2,4,5-trifluoro-
  • 2,4,5-Trifluorobenzyl chloride

Work with 1-(Chloromethyl)-2,4,5-trifluorobenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Difluorobenzyl chloride452-07-356 % similar 2,5-Difluorobenzyl chloride495-07-856 % similar 4-Chloro-2-fluorobenzyl chloride87417-71-854 % similar 2,4,5-Trifluorobenzyl alcohol144284-25-352 % similar 2,4,5-Trifluorobenzyl bromide157911-56-352 % similar 2,4,5-Trifluorobenzyl amine168644-93-752 % similar 4-Bromo-2-fluorobenzyl chloride85510-82-352 % similar 2-Fluorobenzyl chloride345-35-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chlorobenzotrifluoride88-16-4 3-Chlorobenzotrifluoride98-15-7 Parachlorobenzotrifluoride98-56-6

Elsewhere

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