2-Chloro-1,4-dimethoxybenzene

C₈H₉ClO₂CAS 2100-42-7172.61 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉ClO₂
Molar mass: 172.61 g/mol
Exact mass: 172.0291 Da
Boiling point: 124–126 °C
logP: 2.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed37.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation62.5% of notifiers
H335 May cause respiratory irritation62.5% of notifiers
H412 Harmful to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2100-42-7

SMILES

COc1ccc(OC)c(Cl)c1

InChIKey

QMXZSRVFIWACJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

9 names

Benzene, 2-chloro-1,4-dimethoxy-
Chlorohydroquinone dimethyl ether
1-Chloro-2,5-dimethoxybenzene
Chloro-1,4-dimethoxybenzene
2,5-Dimethoxychlorobenzene
Monochloro-1,4-dimethoxybenzene
NSC 60152
2-Chloro-4-methoxyanisole
2,5-Dimethoxyphenyl chloride

Work with 2-Chloro-1,4-dimethoxybenzene

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

1,2-Dichloro-4-methoxybenzene36404-30-569 % similar 2,4-Dichloroanisole553-82-264 % similar 2-Chloro-4-methoxy-1-methylbenzene54788-38-462 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 2-Chloro-4-methoxyphenol18113-03-660 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-360 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-660 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-0 2-(2-Chlorophenoxy)ethanol15480-00-9 2-(4-Chlorophenoxy)ethanol1892-43-9 1-Chloro-2,4-dimethoxybenzene7051-13-0 1-Chloro-3,5-dimethoxybenzene7051-16-3

Elsewhere

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