[1,1'-Biphenyl]-2-carboxylicacid, 3'-methyl- supplier

Name
3'-METHYL[1,1'-BIPHENYL]-2-CARBOXYLIC ACID
EINECS
CAS No. 107412-71-5
Article Data14
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O₂
Boiling Point 349.1 °C at 760 mmHg
Molecular Weight 212.248
Flash Point 163.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Biphenylcarboxylicacid, 3'-methyl- (6CI);2-(m-Tolyl)benzoic acid;3'-Methylbiphenyl-2-carboxylicacid;
PSA 37.30000
LogP 3.36020

[1,1'-Biphenyl]-2-carboxylicacid, 3'-methyl- Specification

This chemical is called [1,1'-Biphenyl]-2-carboxylicacid, 3'-methyl-, and its systematic name is 3'-methylbiphenyl-2-carboxylic acid. With the molecular formula of C₁₄H₁₂O₂, its molecular weight is 212.24. The CAS registry number of the chemical is 107412-71-5.

Other characteristics of [1,1'-Biphenyl]-2-carboxylicacid, 3'-methyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 6.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.2; (8)ACD/KOC (pH 7.4): 1.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 62.59 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 24.81×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 163.3 °C; (20)Enthalpy of Vaporization: 62.64 kJ/mol; (21)Boiling Point: 349.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccccc2c1cc(ccc1)C
2.InChI: InChI=1/C14H12O2/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14(15)16/h2-9H,1H3,(H,15,16)
3.InChIKey: OISTUEPTMQFDTB-UHFFFAOYAE
4.Std. InChI: InChI=1S/C14H12O2/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14(15)16/h2-9H,1H3,(H,15,16)
5.Std. InChIKey: OISTUEPTMQFDTB-UHFFFAOYSA-N

Product Name

3'-METHYL[1,1'-BIPHENYL]-2-CARBOXYLIC ACID

[1,1'-Biphenyl]-2-carboxylicacid, 3'-methyl- Specification

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