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

C₇H₄ClF₃CAS 243139-71-1180.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers

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-Fluorobenzyl chloride345-35-750 % similar 1,2,4,5-Tetrafluorobenzene327-54-847 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-042 % similar 2,6-Difluorobenzyl chloride697-73-441 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-240 % similar α,Α′-Dichloro-O-xylene612-12-438 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-635 % similar 2,4,5-Trifluoroaniline367-34-035 % 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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