CAS No.612-35-1,2-BENZYLBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	612-35-1
Name:	2-BENZYLBENZOIC ACID
Article Data:	58

Formula:	C₁₄H₁₂O₂
Molecular Weight:	212.248
Synonyms:	o-Toluicacid, a-phenyl- (7CI,8CI);2-(Phenylmethyl)benzoic acid;2-Benzylbenzoic acid;NSC 74872;o-Benzylbenzoicacid;o-Diphenylmethanecarboxylic acid;a-Phenyl-2-toluic acid;a-Phenyl-o-toluic acid;
EINECS:	210-305-2
Density:	1.17g/cm³
Melting Point:	112-115 °C(lit.)
Boiling Point:	363.2 °C at 760 mmHg
Flash Point:	168.6 °C
Hazard Symbols:	Xi
PSA:	37.30000
LogP:	2.97560

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Specification

The Benzoic acid,2-(phenylmethyl)-, with CAS registry number 612-35-1, has the systematic name of 2-benzylbenzoic acid. Besides this, it is also called Alpha-phenyl-ortho-toluicacid. And the chemical formula of this chemical is C₁₄H₁₂O₂. What's more, its EINECS is 210-305-2.

Physical properties of Benzoic acid,2-(phenylmethyl)-: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 21.94; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 128.68; (8)ACD/KOC (pH 7.4): 3.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 62.49 cm³; (15)Molar Volume: 181.3 cm³; (16)Polarizability: 24.77×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 168.6 °C; (20)Enthalpy of Vaporization: 64.28 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 6.52E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-benzoyl-benzoic acid. This reaction will need reagents Zn(Hg), HCl.

Uses of Benzoic acid,2-(phenylmethyl)-: it can be used to produce 2-benzyl-benzyl alcohol. This reaction will need reagent LiAlH₄ and solvent diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1Cc2ccccc2
(2)InChI: InChI=1/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)
(3)InChIKey: FESDHLLVLYZNFY-UHFFFAOYAR
(4)Std. InChI: 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)
(5)Std. InChIKey: FESDHLLVLYZNFY-UHFFFAOYSA-N