CAS 27993-56-2 1-(4-Chlorophenyl)-2-hydroxyethan-1-one (HCID 587085)

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Basic information

CAS: 27993-56-2
Standard SMILES: O=C(CO)c1ccc(Cl)cc1
InChIKey: DMDCUPKBRHFLKH-UHFFFAOYSA-N
Molecular formula: C8H7ClO2
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.01345714

Names & identifiers

Preferred name: 1-(4-Chlorophenyl)-2-hydroxyethan-1-one
IUPAC: 1-(4-chlorophenyl)-2-hydroxyethanone
English name: 1-(4-Chlorophenyl)-2-hydroxy-1-ethanone
Molecular formula: C8H7ClO2
Molecular weight: 170.59

Names & synonyms

27993-56-21-(4-chlorophenyl)-2-hydroxyethan-1-oneDTXSID00343060RefChem:425237DTXCID60294140869-918-41-(4-Chlorophenyl)-2-hydroxyethanone1-(4-CHLOROPHENYL)-2-HYDROXY-1-ETHANONE4'-Chloro-2-hydroxyacetophenoneMFCD015700632-hydroxy-1-(4-chloro-phenyl)-ethanoneEthanone, 1-(4-chlorophenyl)-2-hydroxy-

Show more names

4’-Chloro-2-hydroxyacetophenone2-HYDROXY-1-(4-CHLOROPHENYL)ETHANONE

Maybridge1_003287SCHEMBL260152SCHEMBL5254933CHEMBL1650242HMS550N092-oxo-2-[4'chlorophenyl]ethanolCBA99356AC5796

Database identifiers

CAS: 27993-56-2
PubChem CID: 587085
DTXSID: DTXSID00343060
ChEMBL: CHEMBL1650242
EC Number: 869-918-4
Nikkaji: J1.083.689A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 127 · 127-129°C
Boiling point: 299.9 · 299.9±15.0 °C(Predicted)
Density: 1.307 · 1.307±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.63 · 12.63±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HazardClass: IRRITANT
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P