(2-Chloro-6-methylpyridin-3-yl)boronic acid supplier

Name
2-CHLORO-6-METHYLPYRIDINE-3-BORONIC ACID
EINECS
CAS No. 536693-95-5
Article Data1
CAS DataBase
Density 1.347 g/cm³
Solubility
Melting Point
Formula C₆H₇BClNO₂
Boiling Point 338.7 °C at 760 mmHg
Molecular Weight 171.391
Flash Point 158.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (2-chloro-6-methyl-3-pyridinyl)- (9CI);Dihydroxy(2-chloro-6-methyl-3-pyridyl)borane;
PSA 53.35000
LogP -0.27680

(2-Chloro-6-methylpyridin-3-yl)boronic acid Specification

The Boronic acid,B-(2-chloro-6-methyl-3-pyridinyl)-, with the CAS registry number 536693-95-5, has the systematic name of (2-chloro-6-methylpyridin-3-yl)boronic acid. It belongs to the following product categories: Pyridine; Boronic Acid; Pyridines. And the molecular formula of the chemical is C₆H₇BClNO₂.

The characteristics of Boronic acid,B-(2-chloro-6-methyl-3-pyridinyl)- are as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 3.89; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 85.43; (8)ACD/KOC (pH 7.4): 4.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 40.53 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 16.07×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 158.6 °C; (20)Enthalpy of Vaporization: 61.43 kJ/mol; (21)Boiling Point: 338.7 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(ccc1B(O)O)C
(2)InChI: InChI=1/C6H7BClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3,10-11H,1H3
(3)InChIKey: ANQOEORPINPUEB-UHFFFAOYAZ

Product Name

2-CHLORO-6-METHYLPYRIDINE-3-BORONIC ACID

(2-Chloro-6-methylpyridin-3-yl)boronic acid Specification

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