ChemicalBook--->CAS DataBase List--->85-55-2

85-55-2

85-55-2 Structure

85-55-2 Structure
IdentificationMore
[Name]

2-(4-Methylbenzoyl)benzoic acid
[CAS]

85-55-2
[Synonyms]

2-(4-METHYLBENZOYL)BENZENECARBOXYLIC ACID
2-(4-METHYLBENZOYL)BENZOIC ACID
2-(P-TOLUOYL)BENZOIC ACID
2-(P-TOLUYL)BENZOIC ACID
4-METHYLBENZOPHENONE-2'-CARBOXYLIC ACID
4Y-METHYLBENZOPHENONE-2-CARBOXYLIC ACID
AKOS BBS-00000783
O-(P-TOLUOYL)BENZOIC ACID
P-TOLUOYL-O-BENZOIC ACID
2-(4-methylbenzoyl)-benzoicaci
Benzoic acid, o-(p-toluoyl)-
o-(p-toluyl)benzoicacid
2-(4-Toluoyl)Benzoic Acid
4-Methyl-2-benzoylbenzoic acid
2-(P-TOLUOYL)BENZOIC ACID 98%
2-Carboxy-4'-methylbenzophenone
[EINECS(EC#)]

201-614-3
[Molecular Formula]

C15H12O3
[MDL Number]

MFCD00020287
[Molecular Weight]

240.25
[MOL File]

85-55-2.mol
Chemical PropertiesBack Directory
[Melting point ]

137-139 °C(lit.)
[Boiling point ]

342.97°C (rough estimate)
[density ]

1.1783 (rough estimate)
[refractive index ]

1.5570 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

very soluble in Benzene,Ether,Acetone,Alcohol
[form ]

powder to crystal
[pka]

3.33±0.36(Predicted)
[color ]

White to Almost white
[Merck ]

14,9539
[BRN ]

2111078
[InChI]

InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
[InChIKey]

ICQOWIXIHDDXDI-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(C)C=C1
[CAS DataBase Reference]

85-55-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2-(4-methylbenzoyl)-(85-55-2)
[EPA Substance Registry System]

85-55-2(EPA Substance)
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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

2918300090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Methyl anthraquinone-->Anthraquinone-2-carboxylic acid-->2-(3-chloro-4-toluoyl)benzoic acid-->(4-Methylphenyl)-1-(2H)-phthalazinone
Hazard InformationBack Directory
[Uses]

2-(4-Methylbenzoyl)benzoic acid is used as a reactant in the coupling of benzoic and phenylacetic acids with aryltrifluoroborates.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Methylbenzoyl)benzoic acid(85-55-2)MS
2-(4-Methylbenzoyl)benzoic acid(85-55-2)1HNMR
2-(4-Methylbenzoyl)benzoic acid(85-55-2)13CNMR
2-(4-Methylbenzoyl)benzoic acid(85-55-2)IR1
2-(4-Methylbenzoyl)benzoic acid(85-55-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-(4-Toluoyl)benzoic acid, 98%(85-55-2)
[Sigma Aldrich]

85-55-2(sigmaaldrich)
[TCI AMERICA]

2-(p-Toluoyl)benzoic Acid,>97.0%(GC)(85-55-2)
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