phenyl(4-phenylphenyl)methanone

• ChemBase ID: 69739
• Molecular Formular: C19H14O
• Molecular Mass: 258.31386
• Monoisotopic Mass: 258.10446507
• SMILES: c1(ccc(cc1)C(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
• InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(4-phenylphenyl)methanone
• IUPAC Traditional name: phenyl(4-phenylphenyl)methanone
• Synonyms: 4-Benzoylbiphenyl; 4-Benzoylbiphenyl; 4-Phenylbenzophenone; 4-Benzoylbiphenyl 99%; 4-苯基二苯甲酮; 4-苯甲酰基联苯; 4-苯(甲)酰联苯

Database IDs

• CAS Number: 2128-93-0
• EC Number: 218-345-2
• MDL Number: MFCD00003079
• Beilstein Number: 1876092
• PubChem SID: 24891575; 162035464
• PubChem CID: 75040

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0798244
• LogD (pH = 7.4): 5.0798244
• Log P: 5.0798244
• Molar Refractivity: 81.7697 cm^3
• Polarizability: 33.1219 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 98-103°C; 98-103°C; 99-101 °C(lit.)
• Boiling Point: 419-420 °C(lit.); 419-420°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: PC4936800
• German water hazard class: 3
• TSCA Listed: false; 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%; 99%
• Linear Formula: C6H5C6H4COC6H5

DETAILS

Sigma Aldrich - B12601

Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

• Hammett indicator.