tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate supplier

Name
TERT-BUTYL 4'-METHYLBIPHENYL-2-CARBOXYLATE
EINECS
CAS No. 114772-36-0
Article Data26
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₀O₂
Boiling Point 388.892 °C at 760 mmHg
Molecular Weight 268.356
Flash Point 162.608 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-tert-Butoxycarbonyl-4'-methylbiphenyl;4'-Methyl[1,1'-biphenyl]-2-carboxylic acid 1,1-dimethylethyl ester;4'-Methylbiphenyl-2-carboxylic acid tert-butyl ester;tert-Butyl2-(p-tolyl)benzoate;tert-Butyl 4'-methylbiphenyl-2-carboxylate;
PSA 26.30000
LogP 4.61730

tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate Specification

The tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate, with the CAS registry number 114772-36-0, is also called [1,1'-biphenyl]-2-carboxylic acid, 4'-methyl-, 1,1-dimethylethyl ester. It belongs to the product categories of Biphenyl & Diphenyl ether. And the molecular formula of this chemical is C₁₈H₂₀O₂.

The physical properties of tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate are as followings: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4362; (6)ACD/BCF (pH 7.4): 4362; (7)ACD/KOC (pH 5.5): 14024; (8)ACD/KOC (pH 7.4): 14024; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 81.307 cm³; (15)Molar Volume: 258.455 cm³; (16)Polarizability: 32.233×10^-24cm³; (17)Surface Tension: 37.033 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 162.608 °C; (20)Enthalpy of Vaporization: 63.816 kJ/mol; (21)Boiling Point: 388.892 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)c2ccccc2c1ccc(cc1)C
(2)InChI: InChI=1/C18H20O2/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(19)20-18(2,3)4/h5-12H,1-4H3
(3)InChIKey: OWEDFWZJRNPJIV-UHFFFAOYAE

Product Name

TERT-BUTYL 4'-METHYLBIPHENYL-2-CARBOXYLATE

tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate Specification

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