1,2-Dichloro-4-methoxybenzene

C₇H₆Cl₂OCAS 36404-30-5177.02 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆Cl₂O
Molar mass: 177.02 g/mol
Exact mass: 175.9796 Da
Melting point: 206 °C
Boiling point: 200–204 °C
logP: 3.00Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

36404-30-5

SMILES

COc1ccc(Cl)c(Cl)c1

InChIKey

VISJRVXHPNMYRH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2-dichloro-4-methoxy-
3,4-Dichloroanisole
3,4-Dichloromethoxybenzene
4,5-Dichlorophenyl methyl ether

Work with 1,2-Dichloro-4-methoxybenzene

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-Chloro-4-methoxy-2-methylbenzene13334-71-969 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-769 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-069 % similar 2-Chloro-5-methoxybenzenamine2401-24-367 % similar 2-Chloro-4-methoxy-1-methylbenzene54788-38-467 % similar 2-Chloro-4-methoxyphenol18113-03-664 % similar 2-Chloro-5-methoxyphenol18113-04-764 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorobenzyl alcohol15258-73-8 2,4-Dichloro-6-methylphenol1570-65-6 2,4-Dichlorobenzyl alcohol1777-82-8 3,4-Dichlorobenzenemethanol1805-32-9 1,4-Dichloro-2-methoxybenzene1984-58-3 2,3-Dichloroanisole1984-59-4 2,6-Dichloroanisole1984-65-2 Alpha,4-Dichloroanisole21151-56-4

Elsewhere

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