4-benzoylaniline

• ChemBase ID: 52255
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: C(=O)(c1ccc(cc1)N)c1ccccc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
• InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzoylaniline
• IUPAC Traditional name: 4-benzoylaniline
• Synonyms: 4-Aminobenzophenone; 4-Aminophenyl phenyl ketone; 4-Benzoylaniline; 4-Aminobenzophenone; (4-Aminophenyl)(phenyl)methanone; 4-氨基苯基苯甲酮; 4-氨基苯并苯酮; 4-氨基二苯甲酮; 4-氨基苯甲酮

Database IDs

• CAS Number: 1137-41-3; 444317-48-0
• EC Number: 214-506-6
• MDL Number: MFCD00007895
• Beilstein Number: 389292
• PubChem SID: 24890828; 162057018; 24845813
• PubChem CID: 14346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6020567
• LogD (pH = 7.4): 2.6036525
• Log P: 2.603673
• Molar Refractivity: 61.3339 cm^3
• Polarizability: 23.144087 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121-124 °C(lit.); 121-124°C; 122-126 °C; 123°C
• Boiling Point: 245-247°C/22mm

Safety Information

• Storage Warning: IRRITANT
• RTECS: DJ0175000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 95+%; 98%
• Grade: purum
• Linear Formula: H2NC6H4C(O)C6H5

DETAILS

MP Biomedicals - 05215411

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A41402

Packaging
10, 25 g in glass bottle