[1,1'-Biphenyl]-3-carboxylicacid, 3'-methyl- supplier

Name
3'-METHYL-BIPHENYL-3-CARBOXYLIC ACID
EINECS
CAS No. 158619-46-6
Article Data6
CAS DataBase
Density 1.156 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₁₄H₁₂O₂
Boiling Point 393.6 °C at 760 mmHg
Molecular Weight 212.2439
Flash Point 179.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3'-Methylbiphenyl-3-carboxylicacid;
PSA 37.30000
LogP 3.36020

[1,1'-Biphenyl]-3-carboxylicacid, 3'-methyl- Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 3'-methyl- is an organic compound with the formula C₁₄H₁₂O₂. The IUPAC name of this chemical is 3-(3-Methylphenyl)benzoic acid. With the CAS registry number 158619-46-6, it is also named as 3'-Methyl [1,1'-biphenyl]-3-carboxylic acid. The product's category is Pharmacetical. Besides, its molecular weight is 212.24.

Physical properties about [1,1'-Biphenyl]-3-carboxylicacid, 3'-methyl- are: (1)ACD/LogP: 4.30; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 47.55; (5)ACD/BCF (pH 7.4): 1.38; (6)ACD/KOC (pH 5.5): 227.04; (7)ACD/KOC (pH 7.4): 6.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 62.59 cm³; (14)Molar Volume: 183.5 cm³; (15)Polarizability: 24.81×10^-24 cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.156 g/cm³; (18)Flash Point: 179.9 °C; (19)Enthalpy of Vaporization: 67.87 kJ/mol; (20)Boiling Point: 393.6 °C at 760 mmHg; (21)Vapour Pressure: 6.69E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
(2)InChIKey: BJVLFJADOVATRU-UHFFFAOYAP
(3)Std. InChI: InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
(4)Std. InChIKey: BJVLFJADOVATRU-UHFFFAOYSA-N

Product Name

3'-METHYL-BIPHENYL-3-CARBOXYLIC ACID

[1,1'-Biphenyl]-3-carboxylicacid, 3'-methyl- Specification

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