1-methyl-2-phenylbenzene

• ChemBase ID: 110522
• Molecular Formular: C13H12
• Molecular Mass: 168.23438
• Monoisotopic Mass: 168.09390038
• SMILES: Cc1ccccc1c1ccccc1
• Canonical SMILES: Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
• InChIKey: ALLIZEAXNXSFGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-phenylbenzene
• IUPAC Traditional name: 2-methylbiphenyl; o-biphenylmethane
• Synonyms: 2-Methylbiphenyl; 2-Phenyltoluene; 2-METHYLBIPHENYL; 2-Phenyltoluene; 2-Methylbiphenyl; 2-甲基联苯; 2-苯基甲苯; 2-甲基联苯基

Database IDs

• CAS Number: 643-58-3
• EC Number: 211-400-1
• MDL Number: MFCD00008517
• Beilstein Number: 2039655
• PubChem SID: 24857567; 162096948
• PubChem CID: 12563

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1338925
• LogD (pH = 7.4): 4.1338925
• Log P: 4.1338925
• Molar Refractivity: 56.2354 cm^3
• Polarizability: 23.293993 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 0°C
• Boiling Point: 255.3 °C(lit.); 256°C
• Flash Point: 107 °C; 107°C(224°F); 224.6 °F
• Density: 1.010; 1.011 g/mL at 25 °C(lit.)
• Refractive Index: 1.5910; n20/D 1.591(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37/39; 26-37-60; S:20-25-26-37/39
• TSCA Listed: 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: C6H5C6H4CH3

DETAILS

MP Biomedicals - 05215392

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 292192

Packaging
1, 5 g in glass bottle