| Identification | More | [Name]
2-Phenyltoluene | [CAS]
643-58-3 | [Synonyms]
2-METHYLBIPHENYL
2-METHYL DIPHENYL
2-PHENYLTOLUENE
TIMTEC-BB SBB008545
1,1’-Biphenyl,2-methyl-
1-Methyl-2-phenylbenzene
Biphenyl, 2-methyl-
biphenyl,2-methyl-
o-Methylbiphenyl
2-Methylbiphenyl,98%
2-Methyl-1,1'-biphenyl
o-Phenyl toluene | [EINECS(EC#)]
211-400-1 | [Molecular Formula]
C13H12 | [MDL Number]
MFCD00008517 | [Molecular Weight]
168.23 | [MOL File]
643-58-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Melting point ]
°C | [Boiling point ]
255.3 °C (lit.) | [density ]
1.011 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.591(lit.)
| [Fp ]
225 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light yellow | [Specific Gravity]
1.011 | [BRN ]
2039655 | [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 | [SMILES]
Cc1ccccc1-c2ccccc2 | [LogP]
4.634 (est) | [CAS DataBase Reference]
643-58-3(CAS DataBase Reference) | [NIST Chemistry Reference]
1,1'-Biphenyl, 2-methyl-(643-58-3) | [EPA Substance Registry System]
643-58-3(EPA Substance) |
| Questions And Answer | Back Directory | [Uses]
Density functional theory calculations of the 2-phenyltoluene (2-methylbiphenyl) radical anion are reported. The cyclodehydrogenation reaction of 2-phenyltoluene (2-methylbiphenyl) and its gas-phase conversion to a fluorene nucleus are also reported. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S25:Avoid contact with eyes .
S24:Avoid contact with skin . | [WGK Germany ]
3
| [HS Code ]
2902.90.9000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Synthesis Reference(s)]
Journal of the American Chemical Society, 93, p. 3786, 1971 DOI: 10.1021/ja00744a048
Organic Syntheses, Coll. Vol. 6, p. 747, 1988 | [General Description]
Density functional theory calculations for the radical anions of 2-phenyltoluene (2-methylbiphenyl) has been reported. Cyclodehydrogenation of 2-phenyltoluene (2-methylbiphenyl) and its conversion to fluorene nucleus by vapor-phase treatment with palladium catalyst has been reported. |
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