2-benzoylaniline

• ChemBase ID: 69855
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: C(=O)(c1c(cccc1)N)c1ccccc1
• Canonical SMILES: Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2
• InChIKey: MAOBFOXLCJIFLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoylaniline
• IUPAC Traditional name: 2-benzoylaniline
• Synonyms: (2-Amino-phenyl)-phenyl-methanone; (2-Aminophenyl)(phenyl)methanone; 2-(Benzoyl)aniline; 2-Aminobenzophenone; 2-Aminophenyl phenyl ketone; 2-Benzoylaniline; 2-Aminobenzophenone; 2-氨基苯基苯甲酮; 2-氨基苯并苯酮; 2-氨基二苯甲酮; 2-氨基苯甲酮

Database IDs

• CAS Number: 2835-77-0
• EC Number: 220-613-9
• MDL Number: MFCD00007713
• Beilstein Number: 743425
• PubChem SID: 162035580; 24890744
• PubChem CID: 76080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2531416
• LogD (pH = 7.4): 3.2536662
• Log P: 3.2536728
• Molar Refractivity: 61.3339 cm^3
• Polarizability: 23.145714 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-107 °C; 103-107 °C(lit.); 105-108°C; 105-108°C
• Boiling Point: 280°C
• Flash Point: 240°C(464°F)
• Partition Coefficient: 2.747

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: 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: ≥98.0% (NT); 95+%; 98%
• Grade: purum
• Linear Formula: H2NC6H4C(O)C6H5

DETAILS

MP Biomedicals - 05207446

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A41208

Packaging
25 g in poly bottle
5 g in glass bottle