2-Acetamidobiphenyl

HCID 16447

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Basic information

CAS: 2113-47-5
Standard SMILES: CC(=O)Nc1ccccc1-c1ccccc1
InChIKey: IXCZSZXIGHWLEJ-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: 2-Acetamidobiphenyl
IUPAC: N-(2-phenylphenyl)acetamide
English name: Acetamidobiphenyl
Molecular formula: C14H13NO
Molecular weight: 211.26

Names & synonyms

2-Acetamidobiphenyl2'-PhenylacetanilideAcetamidobiphenylN-(2-Biphenylyl)acetamideAcetanilide, o-phenyl-2-AcetylaminobiphenylACETANILIDE, 2'-PHENYL-AI3-17602Acetamide, N-(1,1'-biphenyl)-2-yl-NSC 31582-phenyl-N-acetylanilineN-acetyl-2-aminobiphenyl

Show more names

-Phenylacetanilide2’-PhenylacetanilideN-([1,1'-biphenyl]-2-yl)acetamideAcetamide, N-[1,1'-biphenyl]-2-yl-

NSC 509982-Acetamido-diphenylN-(2-(Phenyl)phenyl)acetamide4WW5K53Z91NSC-3158N-(1,1'-Biphenyl)-2-ylacetamideN-[2-Biphenyl]acetamideNSC-50998

Database identifiers

CAS: 2113-47-5
PubChem CID: 16447
DTXSID: DTXSID6036837
UNII: 4WW5K53Z91
Nikkaji: J33.448K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Experimental & physicochemical properties

LogP2.02

Physicochemical properties

Melting point: 121 °C · 121°C
Boiling point: 350.95 °C · 350.95°C (rough estimate)
Density: 1.0694 · 1.0694 (rough estimate)
refractive index: 1.578 · 1.5780 (estimate)
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
color: White to Off-White
FDA UNII: 4 WW5K53Z91 · 4WW5K53Z91

Chemistry & industry

Applications · 1 item

Uses2''-Phenylacetanilide is an intermediate in the synthesis of 2,2'',3,3'',4,4'',5,5'',6-Nonabromobiphenyl (N649580) which is a polybrominated biphenyl compound that poses toxic dangers to animals, humans and the environment. 2,2'',3,3'',4,4'',5,5'',6-Nonabromobipheny is also one of the components of Firemaster FF-1, a polybrominated biphenyl fire retardant.