1-(5-Chloro-2-methoxyphenyl)ethanone

C₉H₉ClO₂CAS 6342-64-9184.62 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Melting point: 29–30 °C
Boiling point: 135 °C
logP: 2.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% 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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

6342-64-9

SMILES

COc1ccc(Cl)cc1C(C)=O

InChIKey

QPIUQLBBCQTWMJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Ethanone, 1-(5-chloro-2-methoxyphenyl)-
Acetophenone, 5′-chloro-2′-methoxy-
5′-Chloro-2′-methoxyacetophenone
NSC 46629

Work with 1-(5-Chloro-2-methoxyphenyl)ethanone

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

5-Chloro-2-methoxybenzoyl chloride29568-33-067 % similar 2',5'-Dimethoxyacetophenone1201-38-366 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-065 % similar 5-Chloro-2-methoxybenzoic acid3438-16-265 % similar 5-Fluoro-2-methoxyacetophenone445-82-962 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-160 % similar 2'-Methoxyacetophenone579-74-857 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

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