3,4-Dimethylbenzyl chloride

C₉H₁₁ClCAS 102-46-5154.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁Cl
Molar mass: 154.64 g/mol
Exact mass: 154.0549 Da
Boiling point: 116–117 °C (at 24 Torr)
logP: 3.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

102-46-5

SMILES

Cc1ccc(CCl)cc1C

InChIKey

UBQRAAXAHIKWRI-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-(chloromethyl)-1,2-dimethyl-
4-(Chloromethyl)-1,2-dimethylbenzene
1,2-Dimethyl-4-chloromethylbenzene
NSC 62669
4-(Chloromethyl)-o-xylene
1-(Chloromethyl)-3,4-dimethylbenzene

Work with 3,4-Dimethylbenzyl 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-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-667 % similar 3,4-Dimethylbenzenemethanamine102-48-756 % similar 3,4-Dimethylbenzyl alcohol6966-10-556 % similar 4-(Chloromethyl)-1-methyl-2-nitrobenzene84540-59-053 % similar 3,4-Dimethylphenethylamine17283-14-652 % similar 4-Methylbenzyl chloride104-82-550 % similar Alpha,alpha'-Dichloro-p-xylene623-25-650 % similar 3-Methylbenzyl chloride620-19-948 % similar

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

Same formula

1-Chloro-3-phenylpropane104-52-9 4-Ethylbenzyl chloride1467-05-6 2-Chloromesitylene1667-04-5 3,5-Dimethylbenzyl chloride2745-54-2 2,6-Dimethylbenzyl chloride5402-60-8 2,5-Dimethylbenzyl chloride824-45-3 2,4-Dimethylbenzyl chloride824-55-5 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

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