1-Chloro-4-isoquinolinyl boronic acid supplier

Name
1-Chloro-4-isoquinolinyl boronic acid
EINECS
CAS No. 848841-48-5
Density 1.428 g/cm³
Solubility
Melting Point
Formula C₉H₇BClNO₂
Boiling Point 442.348 °C at 760 mmHg
Molecular Weight 207.424
Flash Point 221.324 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1-Chloroisoquinolin-4-yl)boronic acid;
PSA 53.35000
LogP 0.56800

1-Chloro-4-isoquinolinyl boronic acid Specification

The 1-Chloro-4-isoquinolinyl boronic acid, with the CAS registry number 848841-48-5, is also known as (1-Chloro-4-isoquinolyl)boronic acid. This chemical's molecular formula is C₉H₇BClNO₂ and molecular weight is 207.4214. What's more, its IUPAC name is called (1-Chloroisoquinolin-4-yl)boronic acid.

Physical properties about 1-Chloro-4-isoquinolinyl boronic acid are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.693; (4)ACD/LogD (pH 7.4): 0.372; (5)ACD/BCF (pH 5.5): 10.614; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 173.648; (8)ACD/KOC (pH 7.4): 8.29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 53.472 cm³; (15)Molar Volume: 145.299 cm³; (16)Polarizability: 21.198×10^-24cm³ (17)Surface Tension: 62.964 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 221.324 °C; (20)Enthalpy of Vaporization: 73.755 kJ/mol; (21)Boiling Point: 442.348 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cnc(c2c1cccc2)Cl)(O)O
(2) InChI: InChI=1/C9H7BClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5,13-14H
(3) InChIKey: LIQWKDFYRGYBQH-UHFFFAOYAD

Product Name

1-Chloro-4-isoquinolinyl boronic acid

1-Chloro-4-isoquinolinyl boronic acid Specification

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