2-chloro-5-methylpyridine-3-boronic acid supplier

Name
2-CHLORO-5-METHYLPYRIDINE-3-BORONIC ACID 98
EINECS
CAS No. 913835-86-6
Density 1.34 g/cm³
Solubility
Melting Point 115-118°C
Formula C₆H₇BClNO₂
Boiling Point 373.1 °C at 760 mmHg
Molecular Weight 171.3893
Flash Point 179.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-chloro-5-methyl-3-pyridinyl)- (9CI);
PSA 53.35000
LogP -0.27680

2-chloro-5-methylpyridine-3-boronic acid Specification

The 2-chloro-5-methylpyridine-3-boronic acid, with CAS registry number 913835-86-6, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines. It has the systematic name of (2-chloro-5-methylpyridin-3-yl)boronic acid. This chemical should be kept cold.

Physical properties of 2-chloro-5-methylpyridine-3-boronic acid: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 77.1; (8)ACD/KOC (pH 7.4): 3.1; (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)Enthalpy of Vaporization: 65.44 kJ/mol; (19)Vapour Pressure: 3.16E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncc(cc1B(O)O)C
(2)InChI: InChI=1/C6H7BClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
(3)InChIKey: ZMHWEBDZKPQNHG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
(5)Std. InChIKey: ZMHWEBDZKPQNHG-UHFFFAOYSA-N

Product Name

2-CHLORO-5-METHYLPYRIDINE-3-BORONIC ACID 98

2-chloro-5-methylpyridine-3-boronic acid Specification

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