ChemicalBook--->CAS DataBase List--->643-58-3

643-58-3

643-58-3 Structure

643-58-3 Structure
IdentificationMore
[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 PropertiesBack 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 AnswerBack 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 DataBack 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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Phenyltoluene(643-58-3).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Phenyltoluene(643-58-3)MS
2-Phenyltoluene(643-58-3)1HNMR
2-Phenyltoluene(643-58-3)13CNMR
2-Phenyltoluene(643-58-3)IR1
2-Phenyltoluene(643-58-3)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Phenyltoluene, 99%(643-58-3)
[Alfa Aesar]

2-Methylbiphenyl, 98%(643-58-3)
[Sigma Aldrich]

643-58-3(sigmaaldrich)
[TCI AMERICA]

2-Methylbiphenyl,>95.0%(GC)(643-58-3)
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