5′-Chloro-2′-hydroxyacetophenone

C₈H₇ClO₂CAS 1450-74-4170.59 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 54 °C
Boiling point: 126–128 °C (at 28 Torr)
logP: 2.25Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

1450-74-4

SMILES

CC(=O)c1cc(Cl)ccc1O

InChIKey

XTGCUDZCCIRWHL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

8 names

Ethanone, 1-(5-chloro-2-hydroxyphenyl)-
Acetophenone, 5′-chloro-2′-hydroxy-
1-(5-Chloro-2-hydroxyphenyl)ethanone
2-Acetyl-4-chlorophenol
2′-Hydroxy-5′-chloroacetophenone
NSC 46622
3-Chloro-6-hydroxyacetophenone
1-(5-Chloro-2-hydroxyphenyl)ethan-1-one

Work with 5′-Chloro-2′-hydroxyacetophenone

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

1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-075 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-164 % similar 2,5-Dihydroxyacetophenone490-78-864 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-262 % similar 5-Chlorosalicylic acid321-14-262 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-560 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % similar 1-(2-Bromo-5-chlorophenyl)ethanone935-99-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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