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612-35-1

612-35-1 Structure

612-35-1 Structure
IdentificationBack Directory
[Name]

2-BENZYLBENZOIC ACID
[CAS]

612-35-1
[Synonyms]

o-Benzylbenzoicacid
2-BENZYLBENZOIC ACID
α-Phenyl-2-toluicacid
α-Phenyl-o-toluicacid
A-PHENYL-O-TOLUIC ACID
α-Phenyl-o-toluic acid
o-Toluicacid,α-phenyl-
2-Benzylbenzoic acid 98%
ALPHA-PHENYL-O-TOLUIC ACID
ALPHA-PHENYL-2-TOLUIC ACID
2-(Phenylmethyl)benzoicacid
-Phenyl-o-toluic acid
Benzoicacid,2-(phenylmethyl)-
alpha-phenyl-ortho-toluicacid
alpha-Phenyl-o-toluic acid 97%
alpha-Phenyl-2-toluic acid,97%
Diphenylmethane-2-carboxylic acid
2-Carboxydiphenylmethane, alpha-Phenyl-o-toluic acid
[EINECS(EC#)]

210-305-2
[Molecular Formula]

C14H12O2
[MDL Number]

MFCD00002484
[MOL File]

612-35-1.mol
[Molecular Weight]

212.24
Chemical PropertiesBack Directory
[Melting point ]

112-115 °C(lit.)
[Boiling point ]

312.08°C (rough estimate)
[density ]

1.1035 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO : ≥ 100 mg/mL (471.14 mM)
[form ]

Solid
[pka]

4.13±0.36(Predicted)
[color ]

White to off-white
[InChI]

1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
[InChIKey]

FESDHLLVLYZNFY-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccccc1Cc2ccccc2
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Benzylbenzoic acid can be used for compound synthesis[1].
[References]

[1] Christopeit T, et al. Discovery of Novel Inhibitor Scaffolds against the Metallo-β-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening. J Med Chem. 2015 Nov 12;58(21):8671-82. DOI:10.1021/acs.jmedchem.5b01289
Spectrum DetailBack Directory
[Spectrum Detail]

2-BENZYLBENZOIC ACID(612-35-1)1HNMR
2-BENZYLBENZOIC ACID(612-35-1)Raman
2-BENZYLBENZOIC ACID(612-35-1)IR
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