4'-Methylbenzanilide

HCID 68497

Notes Reactions

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Basic information

CAS: 582-78-5
Standard SMILES: Cc1ccc(NC(=O)c2ccccc2)cc1
InChIKey: YUIHXKGKVSVIEL-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: 4'-Methylbenzanilide
IUPAC: N-(4-methylphenyl)benzamide
English name: 4'-methylbenzanilide
Molecular formula: C14H13NO
Molecular weight: 211.26

Names & synonyms

N-(4-Methylphenyl)benzamide582-78-54'-MethylbenzanilideBenzamide, N-(4-methylphenyl)-EINECS 209-491-8AI3-00503DTXSID20206946RefChem:506203DTXCID50129437209-491-8N-(p-tolyl)benzamidep-Benzotoluidide

Show more names

N-(paramethylphenyl)benzamide

N-p-Tolyl-benzamideBenzamide, N-p-tolyl-p-ToluoylanilineN-Benzoyl-p-toluidineBenzoic acid p-toluididen-(4-methylphenyl) benzamidep-BenzotoluideN-(p-Methylphenyl)benzamide

Database identifiers

CAS: 582-78-5
PubChem CID: 68497
DTXSID: DTXSID20206946
ChEMBL: CHEMBL1489271
EC Number: 209-491-8
Nikkaji: J7.440C

Properties

Computed structural properties

XLogP: 3
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: 225

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 158 °C · 158°C
Boiling point: 350.95 °C · 350.95°C (rough estimate)
Density: 1.202 · 1.2020
refractive index: 1.578 · 1.5780 (estimate)
pka: 13.52 · 13.52±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications · 1 item

UsesN-(4-methylphenyl)benzamide is prepared through copper-catalyzed amidation of aryl halides and N-arylation of heterocycles with aryl halides using cyclohexanediamine ligands. It is used as a reactant in preparation of 2-arylbenzoxazoles by copper-catalyzed regioselective intramolecular oxidative C-O coupling of benzanilides.