1-Chloro-2,3-dimethylbenzene

C₈H₉ClCAS 608-23-1140.61 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₉Cl
Molar mass: 140.61 g/mol
Exact mass: 140.0393 Da
Boiling point: 187–190 °C
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation55.6% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

608-23-1

SMILES

Cc1cccc(Cl)c1C

InChIKey

NVLHGZIXTRYOKT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-chloro-2,3-dimethyl-
o-Xylene, 3-chloro-
3-Chloro-o-xylene
3-Chloro-1,2-dimethylbenzene
2,3-Dimethylchlorobenzene
1,2-Dimethyl-3-chlorobenzene
2,3-Dimethyl-1-chlorobenzene

Work with 1-Chloro-2,3-dimethylbenzene

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

2,6-Dichlorotoluene118-69-470 % similar 1,2,3-Trimethylbenzene526-73-865 % similar 2-Chlorotoluene95-49-864 % similar 2-Chloro-6-iodotoluene42048-11-360 % similar 2,3-Dichlorotoluene32768-54-058 % similar 3-Chloro-2-iodotoluene5100-98-156 % similar 2-Bromo-6-chlorotoluene62356-27-856 % similar 3-Chloro-2-methylaniline87-60-556 % 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 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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