1-methoxy-2-phenylbenzene

• ChemBase ID: 111990
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: COc1ccccc1c1ccccc1
• Canonical SMILES: COc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
• InChIKey: NLWCWEGVNJVLAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-phenylbenzene
• IUPAC Traditional name: 1,1'-biphenyl, 2-methoxy-
• Synonyms: o-METHOXY DIPHENYL; 2-Phenylanisole; 2-Methoxybiphenyl; 2-苯基茴香醚; 2-甲氧基联苯; 2-甲氧基联苯基

Database IDs

• CAS Number: 86-26-0
• EC Number: 201-659-9
• MDL Number: MFCD00008367
• Beilstein Number: 2045749
• PubChem SID: 24851761; 162097329
• PubChem CID: 6835

CALCULATED PROPERTIES

• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4628
• LogD (pH = 7.4): 3.4628
• Log P: 3.4628
• Molar Refractivity: 57.6574 cm^3
• Polarizability: 23.941471 Å^3

PROPERTIES

Physical Property

• Melting Point: 30°C; 30-33 °C(lit.); ca 30°C
• Boiling Point: 273-274°C; 274 °C(lit.); 274°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.023; 1.023 g/ml; 1.023 g/mL at 25 °C(lit.)
• Refractive Index: 1.6070; n20/D 1.61(lit.)

Safety Information

• RTECS: BZ8835000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98+%; 99%
• Linear Formula: C6H5C6H4OCH3

DETAILS

MP Biomedicals - 05222078

MP Biomedicals Rare Chemical collection