Boronicacid, B-(4-chloro-2-formylphenyl)- supplier

Name
4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98
EINECS
CAS No. 913835-76-4
Article Data4
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 132-134°C
Formula C₇H₆BClO₃
Boiling Point 371.8 °C at 760 mmHg
Molecular Weight 184.387
Flash Point 178.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-chloro-2-formylphenyl)- (9CI);4-Chloro-2-formylphenylboronic acid;
PSA 57.53000
LogP -0.16770

Boronicacid, B-(4-chloro-2-formylphenyl)- Specification

The Boronicacid, B-(4-chloro-2-formylphenyl)-, with CAS registry number 913835-76-4, has the systematic name of (4-chloro-2-formyl-phenyl)boronic acid. This chemical belongs to the following product categories: (1)Blocks; (2)Boronic Acids. And the chemical formula of this chemical is C₇H₆BClO₃.

Physical properties of Boronicacid, B-(4-chloro-2-formylphenyl)-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 57.53 Å²; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 43.08 cm³; (11)Molar Volume: 131.6 cm³; (12)Polarizability: 17.08×10^-24cm³; (13)Surface Tension: 53.4 dyne/cm; (14)Enthalpy of Vaporization: 65.28 kJ/mol; (15)Vapour Pressure: 3.48E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1C=O)Cl)(O)O
(2)InChI: InChI=1/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
(3)InChIKey: BTQFQGHQBOWNAJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
(5)Std. InChIKey: BTQFQGHQBOWNAJ-UHFFFAOYSA-N

Product Name

4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98

Boronicacid, B-(4-chloro-2-formylphenyl)- Specification

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