3-Chloro-5-cyanophenylboronic acid supplier

Name
(3-CHLORO-5-CYANOPHENYL)BORONIC ACID
EINECS
CAS No. 915763-60-9
Density 1.4±0.1 g/cm³
Solubility
Melting Point
Formula C₇H₅BClNO₂
Boiling Point 364.3±52.0 °C at 760 mmHg
Molecular Weight 181.38
Flash Point 174.1±30.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3-CHLORO-5-CYANOPHENYL)BORONIC ACID
PSA 64.25000
LogP -0.10852

3-Chloro-5-cyanophenylboronic acid Specification

The 3-Chloro-5-cyanophenylboronic acid, with the CAS registry number 915763-60-9, is also known as Boronic acid, B-(3-chloro-5-cyanophenyl)-. This chemical's molecular formula is C₇H₅BClNO₂ and molecular weight is 181.38. What's more, its systematic name is (3-Chloro-5-cyanophenyl)boronic acid.

Physical properties of 3-Chloro-5-cyanophenylboronic acid are: (1)ACD/LogP: 1.72±0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 9.95; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 171.06; (8)ACD/KOC (pH 7.4): 12.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.25 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 42.7±0.4 cm³; (15)Molar Volume: 128.2±5.0 cm³; (16)Polarizability: 16.9±0.5×10^-24cm³; (17)Surface Tension: 59.7±5.0 dyne/cm; (18)Density: 1.4±0.1 g/cm³; (19)Flash Point: 174.1±30.7 °C; (20)Enthalpy of Vaporization: 64.4±3.0 kJ/mol; (21)Boiling Point: 364.3±52.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)Cl)C#N)(O)O
(2)Std. InChI: InChI=1S/C7H5BClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12H
(3)Std. InChIKey: DYVJQLYYHMZIIU-UHFFFAOYSA-N

Product Name

(3-CHLORO-5-CYANOPHENYL)BORONIC ACID

3-Chloro-5-cyanophenylboronic acid Specification

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