Methyl 4'-bromomethylbiphenyl-2-carboxylate supplier

Name
Methyl 4'-bromomethylbiphenyl-2-carboxylate
EINECS
CAS No. 133240-26-3
Article Data4
CAS DataBase
Density 1.374 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₃BrO₂
Boiling Point 412.8 °C at 760 mmHg
Molecular Weight 305.17
Flash Point 203.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-(2-bromomethylphenyl)benzoate;
PSA 26.30000
LogP 4.03510

Methyl 4'-bromomethylbiphenyl-2-carboxylate Specification

The CAS register number of Methyl 4'-bromomethylbiphenyl-2-carboxylate is 133240-26-3. It also can be called as [1,1'-Biphenyl]-4-carboxylicacid, 2'-(bromomethyl)-, methyl ester and the systematic name about this chemical is methyl 4'-(bromomethyl)biphenyl-2-carboxylate. The molecular formula about this chemical is C₁₅H₁₃BrO₂ and the molecular weight is 305.17.

Physical properties about Methyl 4'-bromomethylbiphenyl-2-carboxylate are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 774.66; (5)ACD/BCF (pH 7.4): 774.66; (6)ACD/KOC (pH 5.5): 4070.29; (7)ACD/KOC (pH 7.4): 4070.29; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 75.26 cm³; (13)Molar Volume: 222.1 cm³; (14)Polarizability: 29.83x10^-24cm³; (15)Surface Tension: 44.7 dyne/cm; (16)Enthalpy of Vaporization: 66.55 kJ/mol; (17)Boiling Point: 412.8 °C at 760 mmHg; (18)Vapour Pressure: 5.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2ccccc2c1ccc(CBr)cc1
(2)InChI: InChI=1/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(3)InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
(5)Std. InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N

Product Name

Methyl 4'-bromomethylbiphenyl-2-carboxylate

Methyl 4'-bromomethylbiphenyl-2-carboxylate Specification

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