Boronicacid, B-(5-chloro-2-methoxy-3-pyridinyl)- supplier

Name
(5-CHLORO-2-METHOXYPYRIDIN-3-YL)BORONIC ACID
EINECS
CAS No. 943153-22-8
Article Data2
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 148-152ºC
Formula C₆H₇BClNO₃
Boiling Point 353.1 °C at 760 mmHg
Molecular Weight 187.39
Flash Point 167.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Chloro-2-methoxypyridin-3-yl)boronicacid;boronic acid, B-(5-chloro-2-methoxy-3-pyridinyl)-;5-Chloro-2-methoxypyridine-3-boronic acid;
PSA 62.58000
LogP -0.57660

Boronicacid, B-(5-chloro-2-methoxy-3-pyridinyl)- Specification

The Boronicacid, B-(5-chloro-2-methoxy-3-pyridinyl)-, with the CAS registry number 943153-22-8, has the systematic name of (5-Chloro-2-methoxypyridin-3-yl)boronic acid. It is a kind of white solid, and belongs to the product category of Boronic Acid. And the molecular formula of the chemical is C₆H₇BClNO₃.

The characteristics of Boronicacid, B-(5-chloro-2-methoxy-3-pyridinyl)- are as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.58 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 42.27 cm³; (15)Molar Volume: 133.5 cm³; (16)Polarizability: 16.76×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 353.1 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(cnc1OC)Cl)(O)O
(2)InChI: InChI=1/C6H7BClNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3
(3)InChIKey: BZJQXIUWWLFBJS-UHFFFAOYAP

Product Name

(5-CHLORO-2-METHOXYPYRIDIN-3-YL)BORONIC ACID

Boronicacid, B-(5-chloro-2-methoxy-3-pyridinyl)- Specification

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