4-Chloro-M-xylene

C₈H₉ClCAS 95-66-9140.61 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₉Cl
Molar mass: 140.61 g/mol
Exact mass: 140.0393 Da
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

95-66-9

SMILES

CC1=CC(=C(C=C1)Cl)C

InChIKey

UIEVCEQLNUHDIF-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

1-Chloro-2,4-dimethylbenzene

Work with 4-Chloro-M-xylene

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

Chloro-p-xylene95-72-770 % similar 3,4-Dichlorotoluene95-75-068 % similar 2,5-Dichlorotoluene19398-61-960 % similar 1-Chloro-4-iodo-2-methylbenzene116632-41-858 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-958 % similar 1,2,4-Trimethylbenzene95-63-657 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-156 % similar 5-Bromo-2-chlorotoluene54932-72-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook