2-Chlorothiophene-3-boronic acid supplier

Name
2-Chlorothiophene-3-boronic acid
EINECS
CAS No. 177734-82-6
Density 1.501 g/cm³
Solubility
Melting Point
Formula C₄H₄BClO₂S
Boiling Point 322.723 °C at 760 mmHg
Molecular Weight 162.405
Flash Point 148.978 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Boronicacid, (2-chloro-3-thienyl)- (9CI);(2-Chlorothiophen-3-yl)dihydroxyborane;
PSA 68.70000
LogP 0.08130

2-Chlorothiophene-3-boronic acid Specification

The 2-Chlorothiophene-3-boronic acid, with the CAS registry number 177734-82-6, is also known as Boronic acid, B-(2-chloro-3-thienyl)-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C₄H₄BClO₂S and molecular weight is 162.40. What's more, its systematic name is called (2-Chloro-3-thienyl)boronic acid.

Physical properties about 2-Chlorothiophene-3-boronic acid are: (1)ACD/LogP: 1.911; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 16.64; (6)ACD/BCF (pH 7.4): 13.06; (7)ACD/KOC (pH 5.5): 260.17; (8)ACD/KOC (pH 7.4): 204.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.7 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 36.257 cm³; (15)Molar Volume: 108.183 cm³; (16)Polarizability: 14.373×10^-24cm³; (17)Surface Tension: 54.334 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 148.978 °C; (20)Enthalpy of Vaporization: 59.603 kJ/mol; (21)Boiling Point: 322.723 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccsc1Cl
(2) InChI: InChI=1S/C4H4BClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2,7-8H
(3) InChIKey: JWVLMZZYJOJCTI-UHFFFAOYSA-N

Product Name

2-Chlorothiophene-3-boronic acid

2-Chlorothiophene-3-boronic acid Specification

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