2-Methylbenzyl chloride

C₈H₉ClCAS 552-45-4140.61 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈H₉Cl
Molar mass: 140.61 g/mol
Exact mass: 140.0393 Da
Density: 1.083 g/mL (at 21 °C)
Melting point: 96.7 °C
Boiling point: 195–203 °C
Flash point: 73.9 °C
Water solubility: miscible
logP: 2.73Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals76.4% of notifiers
H302 Harmful if swallowed79.1% of notifiers
H314 Causes severe skin burns and eye damage99.5% of notifiers
H318 Causes serious eye damage77% of notifiers

Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, P501

Identifiers

CAS number

552-45-4

SMILES

Cc1ccccc1CCl

InChIKey

VQRBXYBBGHOGFT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

12 names

Benzene, 1-(chloromethyl)-2-methyl-
o-Methylbenzyl chloride
α-Chloro-o-xylene
2-(Chloromethyl)toluene
o-Chloromethyltoluene
1-Methyl-2-chloromethylbenzene
o-Xylene, α-chloro-
1-(Chloromethyl)-2-methylbenzene
ω-Chloro-o-xylene
o-Xylyl chloride
o-Xylyl-α-chloride
Alpha-Chloro-o-xylene

Work with 2-Methylbenzyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α,α′-Dichloro-o-xylene612-12-462 % similar 2,6-Dimethylbenzyl chloride5402-60-856 % similar 1-Ethyl-2-methylbenzene611-14-356 % similar 2,5-Dimethylbenzyl chloride824-45-356 % similar 2-Iodobenzyl chloride59473-45-954 % similar 2-Methylbenzyl bromide89-92-954 % similar 2-Methylbenzylamine89-93-054 % similar 2-Methylbenzyl alcohol89-95-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzyl chloride104-82-5 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 4-Chloro-1,2-dimethylbenzene615-60-1 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0 1-Phenylethyl chloride672-65-1

Elsewhere

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