2-phenylbenzaldehyde

• ChemBase ID: 76081
• Molecular Formular: C13H10O
• Molecular Mass: 182.2179
• Monoisotopic Mass: 182.07316494
• SMILES: O=Cc1ccccc1c1ccccc1
• Canonical SMILES: O=Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H
• InChIKey: LCRCBXLHWTVPEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylbenzaldehyde
• IUPAC Traditional name: 2-phenylbenzaldehyde
• Synonyms: 2-Biphenylcarboxaldehyde; Biphenyl-2-carboxaldehyde; 2-Phenylbenzaldehyde; Biphenyl-2-carboxaldehyde; 2-Phenylbenzaldehyde; 联苯-2-甲醛

Database IDs

• CAS Number: 1203-68-5
• MDL Number: MFCD01740431
• PubChem SID: 162040999; 24879009
• PubChem CID: 121052

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3329735
• LogD (pH = 7.4): 3.3329735
• Log P: 3.3329735
• Molar Refractivity: 57.7782 cm^3
• Polarizability: 23.30402 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 91-92 °C/0.15 mmHg(lit.); 91-92°C/0.15mm
• Flash Point: 102 °C; 102°C; 215.6 °F
• Density: 1.13; 1.130 g/mL at 25 °C(lit.)
• Refractive Index: n20/D >1.6220(lit.)

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Keep Cold/Store under Argon
• RTECS: DV1771000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 96%
• Linear Formula: C6H5C6H4CHO

DETAILS

Sigma Aldrich - 548049

Caution
Refrigerate
Packaging
1, 5 g in glass bottle