3-Ethoxycarbonylthiophen-2-boronic acid supplier

Name
5-ETHOXYCARBONYLTHIOPHEN-2-BORONIC ACID
EINECS
CAS No. 632325-56-5
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₇H₉BO₄S
Boiling Point 382 °C at 760 mmHg
Molecular Weight 200.02
Flash Point 184.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [3-(Ethoxycarbonyl)thiophen-2-yl]boronic acid;
PSA 95.00000
LogP -0.39540

3-Ethoxycarbonylthiophen-2-boronic acid Specification

The 3-Ethoxycarbonylthiophen-2-boronic acid has CAS registry number 632325-56-5. This chemical's molecular formula is C₇H₉BO₄S and molecular weight is 200.02. What's more, its systematic name is [3-(Ethoxycarbonyl)thiophen-2-yl]boronic acid.

Physical properties about 3-Ethoxycarbonylthiophen-2-boronic acid are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 12.36; (6)ACD/BCF (pH 7.4): 10.18; (7)ACD/KOC (pH 5.5): 210.33; (8)ACD/KOC (pH 7.4): 173.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 73 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 47.17 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 18.7×10^-24 cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 184.9 °C; (20)Enthalpy of Vaporization: 66.5 kJ/mol; (21)Boiling Point: 382 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccsc1B(O)O
(2) InChI: InChI=1/C7H9BO4S/c1-2-12-7(9)5-3-4-13-6(5)8(10)11/h3-4,10-11H,2H2,1H3
(3) InChIKey: PNZRRDAJSUVYCN-UHFFFAOYAQ

Product Name

5-ETHOXYCARBONYLTHIOPHEN-2-BORONIC ACID

3-Ethoxycarbonylthiophen-2-boronic acid Specification

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