2-Acetylamino-4-chlorophenol

HCID 95258CAS 26488-93-7

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Basic information

Standard SMILES: CC(=O)Nc1cc(Cl)ccc1O
InChIKey: HGDAFIJKXCFHPG-UHFFFAOYSA-N
Molecular formula: C8H8ClNO2
Average molar mass: 185.61 g/mol
Monoisotopic mass: 185.0243562

Names & identifiers

Preferred name: 2-Acetylamino-4-chlorophenol
IUPAC: N-(5-chloro-2-hydroxyphenyl)acetamide
English name: N-(5-chloro-2-hydroxyphenyl)acetamide
Molecular formula: C8H8ClNO2
Molecular weight: 185.61

Names & synonyms

26488-93-72-Acetylamino-4-chlorophenolAcetamide, N-(5-chloro-2-hydroxyphenyl)-4-Chloro-2-acetamidophenolUNII-6DV2XM02Z0Acetanilide, 5'-chloro-2'-hydroxy-NSC 261866DV2XM02Z0EINECS 247-736-0NSC-26186DTXSID5067213RefChem:84991

Show more names

Chlorzoxazone Impurity 445-Chloro-2-hydroxyacetanilide4-Chloro-2-(acetylamino)phenol5'-Chloro-2'-hydroxyacetanilideN-(2-Hydroxy-5-chlorophenyl)acetamide

DTXCID1037511247-736-0N-(5-Chloro-2-hydroxyphenyl)acetamideMFCD00029752N-(5-Chloro-2-hydroxy-phenyl)acetamideN-(5-Chloro-2-hydroxyphenyl)acetamide; 5'-Chloro-2'-hydroxy-acetanilide; 4-Chloro-2-acetamidophenol; NSC 26186;NSC26186Acetamide,N-(5-chloro-2-hydroxyphenyl)-

Database identifiers

CAS: 26488-93-7
PubChem CID: 95258
DTXSID: DTXSID5067213
UNII: 6DV2XM02Z0
EC Number: 247-736-0
Nikkaji: J29.365B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 182 · 182-184°C
Boiling point: 367 · 367.0±32.0 °C(Predicted)
Density: 1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: DMSO (Slightly), Ethyl Acetate (Slightly)
form: Solid
pka: 8.82 · 8.82±0.48(Predicted)
color: Light Beige to Light Brown
FDA UNII: 6 DV2XM02Z0 · 6DV2XM02Z0
EPA Substance Registry System: Acetamide, N-(5-chloro-2-hydroxyphenyl)- (26488-93-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed