Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI) supplier

Name
4-BENZYLOXY-3-FORMYLPHENYLBORONIC ACID
EINECS
CAS No. 121124-98-9
Article Data1
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃BO₄
Boiling Point 489.835 °C at 760 mmHg
Molecular Weight 256.06
Flash Point 250.043 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms AKOS BRN-0207;4-BENZYLOXY-3-FORMYLBENZENEBORONIC ACID;4-BENZYLOXY-3-FORMYLPHENYLBORONIC ACID;3-FORMYL-4-BENZYLOXYPHENYLBORONIC ACID
PSA 66.76000
LogP 0.75790

Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI) Specification

The Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI), with the CAS registry number 121124-98-9, has the systematic name of (4-benzyloxy-3-formyl-phenyl)boronic acid. It is a kind of corrosive chemical, and belongs to the product category of Boronic Acids. And the molecular formula of the chemical is C₁₄H₁₃BO₄.

The characteristics of Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI) are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.108; (4)ACD/LogD (pH 7.4): 2.001; (5)ACD/BCF (pH 5.5): 23.516; (6)ACD/BCF (pH 7.4): 18.418; (7)ACD/KOC (pH 5.5): 333.276; (8)ACD/KOC (pH 7.4): 261.025; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.76 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 69.336 cm³; (15)Molar Volume: 202.706 cm³; (16)Polarizability: 27.487×10^-24cm³; (17)Surface Tension: 54.736 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 250.043 °C; (20)Enthalpy of Vaporization: 79.648 kJ/mol; (21)Boiling Point: 489.835 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1ccc(c(c1)C=O)OCc2ccccc2)(O)O
(2)InChI: InChI=1/C14H13BO4/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
(3)InChIKey: SELUMTHJWHLSBV-UHFFFAOYAP

Product Name

4-BENZYLOXY-3-FORMYLPHENYLBORONIC ACID

Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI) Specification

Related Products

Hot Products