Alpha,4-Dichloroanisole

C₇H₆Cl₂OCAS 21151-56-4177.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₆Cl₂O
Molar mass: 177.02 g/mol
Exact mass: 175.9796 Da
logP: 2.92Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

21151-56-4

SMILES

C1=CC(=CC=C1OCCl)Cl

InChIKey

PJLGIZXAYTZSIZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2O/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2

Weigh it out

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

Names and synonyms

10 names

1-Chloro-4-(chloromethoxy)benzene
Benzene, 1-chloro-4-(chloromethoxy)-
.Alpha.,para-Dichloroanisole
.Alpha.,4-Dichloroanisole
4-Chlorophenoxychloromethane
Alpha-Chloro-p-chloroanisole
p-Chlorophenoxymethyl chloride
4-Chlorophenoxymethyl chloride
1-Chloromethoxy-4-chlorobenzene
1-Chloromethoxy-4-chloro-benzene

Reactions

p-Chlorophenoxymethyl chloride (Anisole, p-a-dichloro-)product

Work with Alpha,4-Dichloroanisole

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

Bis(p-chlorophenoxy)methane555-89-565 % similar 1-Chloro-4-(2-chloroethoxy)benzene13001-28-062 % similar 1-Chloro-4-ethoxybenzene622-61-758 % similar 2-(4-Chlorophenoxy)ethanol1892-43-954 % similar 1-(2-Bromoethoxy)-4-chlorobenzene2033-76-354 % similar 2-(4-Chlorophenoxy)acetonitrile3598-13-852 % similar 4-Benzyloxychlorobenzene7700-27-852 % similar 4-Chlorophenoxyacetic acid122-88-347 % 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 2,6-Dichloro-4-methylphenol2432-12-4

Elsewhere

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