2,4-Dimethylbenzyl chloride

C₉H₁₁ClCAS 824-55-5154.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁Cl
Molar mass: 154.64 g/mol
Exact mass: 154.0549 Da
Density: 1.0597 g/mL (at 20 °C)
Melting point: 68–69 °C
Boiling point: 215.5 °C
logP: 3.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor82.6% of notifiers
H314 Causes severe skin burns and eye damage15.2% of notifiers
H315 Causes skin irritation84.8% of notifiers
H319 Causes serious eye irritation84.8% of notifiers
H332 Harmful if inhaled84.8% of notifiers
H335 May cause respiratory irritation84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

824-55-5

SMILES

Cc1ccc(CCl)c(C)c1

InChIKey

BETNPSBTDMBHCZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-(chloromethyl)-2,4-dimethyl-
1-(Chloromethyl)-2,4-dimethylbenzene
4-(Chloromethyl)-m-xylene
1,3-Dimethyl-4-chloromethylbenzene
NSC 405479
NSC 574

Work with 2,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dimethyl-4-ethylbenzene874-41-961 % similar 2,4-Dimethylbenzyl alcohol16308-92-259 % similar 2,4-Dimethylbenzenemethanamine94-98-459 % similar 2,4-Dimethylphenethylamine76935-60-955 % similar 2,4,6-Trimethylbenzyl chloride1585-16-654 % similar 2-Methylbenzyl chloride552-45-454 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 4-Chloro-M-xylene95-66-948 % similar

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

Same formula

3,4-Dimethylbenzyl chloride102-46-5 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 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook