Boronic acid,B-[4-(phenylmethyl)phenyl]- supplier

Name
BORONIC ACID, [4-(PHENYLMETHYL)PHENYL]-
EINECS
CAS No. 56311-13-8
Density 1.155 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃BO₂
Boiling Point 384.898 °C at 760 mmHg
Molecular Weight 212.056
Flash Point 186.58 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [4-(phenylmethyl)phenyl]- (9CI);
PSA 40.46000
LogP 0.95720

Boronic acid,B-[4-(phenylmethyl)phenyl]- Specification

The Boronic acid,B-[4-(phenylmethyl)phenyl]-, with the CAS registry number 56311-13-8, is also known as 4-Benzylphenylboronic acid. This chemical's molecular formula is C₁₃H₁₃BO₂ and molecular weight is 212.0521. What's more, its systematic name is (4-Benzylphenyl)boronic acid.

Physical properties about Boronic acid,B-[4-(phenylmethyl)phenyl]- are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.131; (4)ACD/LogD (pH 7.4): 3.112; (5)ACD/BCF (pH 5.5): 140.975; (6)ACD/BCF (pH 7.4): 134.95; (7)ACD/KOC (pH 5.5): 1201.972; (8)ACD/KOC (pH 7.4): 1150.605; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 62.626 cm³; (15)Molar Volume: 183.54 cm³; (16)Polarizability: 24.827×10^-24cm³; (17)Surface Tension: 48.292 dyne/cm; (18)Density: 1.155 g/cm³; (19)Flash Point: 186.58 °C; (20)Enthalpy of Vaporization: 66.834 kJ/mol; (21)Boiling Point: 384.898 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)Cc2ccccc2)(O)O
(2) InChI: InChI=1/C13H13BO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
(3) InChIKey: LPXRLRBXBWDOPK-UHFFFAOYAS

Product Name

BORONIC ACID, [4-(PHENYLMETHYL)PHENYL]-

Boronic acid,B-[4-(phenylmethyl)phenyl]- Specification

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