Basic Information | Post buying leads | Suppliers |
Name |
3-Chlorothiophene-2-boronic acid |
EINECS | N/A |
CAS No. | 324024-80-8 | Density | 1.5 g/cm3 |
PSA | 68.70000 | LogP | 0.08130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4BClO2S | Boiling Point | 334.1 °C at 760 mmHg |
Molecular Weight | 162.4 | Flash Point | 155.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3-Chlorothiophen-2-yl)boronic acid; |
The CAS registry number of Boronic acid,(3-chloro-2-thienyl)- (9CI) is 324024-80-8. It belongs to the product categories of Halogenated; Organoborons; Thiophene. This chemical's molecular formula is C4H4BClO2S and molecular weight is 162.4024. What's more, its systematic name is (3-Chlorothiophen-2-yl)boronic acid.
Physical properties about Boronic acid,(3-chloro-2-thienyl)- (9CI) are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92 ; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 16.95; (6)ACD/BCF (pH 7.4): 14.27; (7)ACD/KOC (pH 5.5): 263.74; (8)ACD/KOC (pH 7.4): 222; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.7Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 36.25 cm3; (15)Molar Volume: 108.1 cm3; (16)Polarizability: 14.37×10-24 cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 155.8 °C; (20) Enthalpy of Vaporization: 60.9 kJ/mol; (21)Boiling Point: 334.1 °C at 760 mmHg; (22)Vapour Pressure: 5.18E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1sccc1Cl
(2) InChI: InChI=1/C4H4BClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2,7-8H
(3) InChIKey: s: SFFHGIVONBNWST-UHFFFAOYAH