2,3-Difluorobenzyl chloride

C₇H₅ClF₂CAS 446-57-1162.56 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅ClF₂
Molar mass: 162.56 g/mol
Exact mass: 162.0048 Da
logP: 2.70Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H351 Suspected of causing cancer100% of notifiers

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

Precautionary statements

P203, P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

446-57-1

SMILES

C1=CC(=C(C(=C1)F)F)CCl

InChIKey

OVUKQQRPTLPXTD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

1-(Chloromethyl)-2,3-difluorobenzene

Work with 2,3-Difluorobenzyl chloride

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 chloride345-35-765 % similar 2,3-Difluorobenzyl bromide113211-94-261 % similar 2,3-Difluorobenzylamine72235-51-959 % similar 2,3-Difluorobenzyl alcohol75853-18-859 % similar 1,2,3-Trifluorobenzene1489-53-854 % similar 2,3-Difluorophenylacetonitrile145689-34-553 % similar 2,3-Difluorobenzeneacetic acid145689-41-449 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluorobenzyl chloride220141-71-9 2,4-Difluorobenzyl chloride452-07-3 2,5-Difluorobenzyl chloride495-07-8 2,6-Difluorobenzyl chloride697-73-4 3,4-Difluorobenzyl chloride698-80-6

Elsewhere

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