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| CAS No.: | 177735-09-0 |
|---|---|
| Name: | 3-METHYLTHIOPHENE-2-BORONIC ACID |
| Molecular Structure: | |
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| Formula: | C5H7BO2S |
| Molecular Weight: | 141.986 |
| Synonyms: | (3-Methylthiophen-2-yl)dihydroxyborane;3-(Methyl)thiophen-2-ylboronic acid;3-Methyl-2-thienylboronic acid;Boronicacid, (3-methyl-2-thienyl)- (9CI);(3-Methylthiophen-2-yl)boronic acid; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 192-196℃ |
| Boiling Point: | 302.1 °C at 760 mmHg |
| Flash Point: | 136.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
| Safety: | 26-36/37/39 |
| PSA: | 68.70000 |
| LogP: | -0.26370 |
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Specification
The 3-Methylthiophene-2-boronic acid, with the CAS registry number 177735-09-0, is also known as 3-Methyl-2-thienylboronic acid. It belongs to the product categories of Azoles; Blocks; Boronic Acids; API intermediates; Boronic acid; Organoborons; Thiophene. This chemical's molecular formula is C5H7BO2S and molecular weight is 141.98. What's more, its systematic name is (3-Methylthiophen-2-yl)boronic acid. It should be stored at cold temperatures.
Physical properties of 3-Methylthiophene-2-boronic acid are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 12.09; (6)ACD/BCF (pH 7.4): 11.19; (7)ACD/KOC (pH 5.5): 207.13; (8)ACD/KOC (pH 7.4): 191.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.7 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 36.05 cm3; (15)Molar Volume: 113 cm3; (16)Polarizability: 14.29×10-24 cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 136.5 °C; (20)Enthalpy of Vaporization: 57.26 kJ/mol; (21)Boiling Point: 302.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000448 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1sccc1C
(2)InChI: InChI=1S/C5H7BO2S/c1-4-2-3-9-5(4)6(7)8/h2-3,7-8H,1H3
(3)InChIKey: MOOOGTOEKZWEJA-UHFFFAOYSA-N