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199659-23-9

Basic Information
CAS No.: 199659-23-9
Name: Boronic acid, (5-chloro-3-thienyl)- (9CI)
Molecular Structure:
Molecular Structure of 199659-23-9 (Boronic acid, (5-chloro-3-thienyl)- (9CI))
Formula: C4H4BClO2S
Molecular Weight: 162.4
Synonyms: 5-Chlorothiophene-3-boronicacid;
EINECS:
Density: 1.501 g/cm3
Melting Point: 136-140 °C
Boiling Point: 320.87 °C at 760 mmHg
Flash Point: 147.857 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 68.70000
LogP: 0.08130
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Specification

The CAS register number of (5-Chlorothiophen-3-yl)boronic acid is 199659-23-9. It also can be called as Boronic acid, (5-chloro-3-thienyl)- (9CI) and the systematic name about this chemical is (5-chlorothiophen-3-yl)boronic acid. The molecular formula about this chemical is C4H4BClO2S and the molecular weight is 162.4.

Physical properties about (5-Chlorothiophen-3-yl)boronic acid are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 16; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 257; (7)ACD/KOC (pH 7.4): 112; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 68.7Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 36.257 cm3; (14)Molar Volume: 108.183 cm3; (15)Polarizability: 14.373x10-24cm3; (16)Surface Tension: 54.334 dyne/cm; (17)Enthalpy of Vaporization: 59.392 kJ/mol; (18)Boiling Point: 320.87 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1csc(Cl)c1
(2)InChI: InChI=1/C4H4BClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2,7-8H
(3)InChIKey: DKYYLYWTTBGVKE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H4BClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2,7-8H
(5)Std. InChIKey: DKYYLYWTTBGVKE-UHFFFAOYSA-N