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CAS No.: | 162607-20-7 |
---|---|
Name: | 5-Methylthiophene-2-boronic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H7BO2S |
Molecular Weight: | 141.986 |
Synonyms: | 2-Methylthiophene-5-boronic acid;5-Methyl-2-thiopheneboronic acid;2-Methylthienyl-5-boronic acid;(5-Methylthiophen-2-yl)dihydroxyborane;(5-Methylthien-2-yl)boronic acid;(5-Methyl-2-thienyl)boronic acid;Boronicacid, (5-methyl-2-thienyl)- (9CI); |
EINECS: | -0 |
Density: | 1.25 g/cm3 |
Melting Point: | 161.5-166.5 °C(lit.) |
Boiling Point: | 302.9 °C at 760 mmHg |
Flash Point: | 137 °C |
Appearance: | White to light yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 36/37/39-26-7/9 |
PSA: | 68.70000 |
LogP: | -0.26370 |
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The Boronic acid,B-(5-methyl-2-thienyl)- is an organic compound with the formula C5H7BO2S. The IUPAC name of this chemical is (5-Methylthiophen-2-yl)boronic acid. With the CAS registry number 162607-20-7, it is also named as 5-Methyl-2-thienylboric acid. The product's categories are Azoles; Blocks; Thiophene and Benzothiophene; Boronic acids; Boronic acid; Organoborons; Thiophene; B (Classes of Boron compounds); Boronic acids; Boronic acids and Derivatives; Heteroaryl. Besides, it is white to light yellow powder, which should be stored at 0 - 6°C.
Physical properties about Boronic acid,B-(5-methyl-2-thienyl)- are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 12.09; (5)ACD/BCF (pH 7.4): 11.56; (6)ACD/KOC (pH 5.5): 207.22; (7)ACD/KOC (pH 7.4): 198.07; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.7 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 36.05 cm3; (14)Molar Volume: 113 cm3; (15)Polarizability: 14.29×10-24 cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.25 g/cm3; (18)Flash Point: 137 °C; (19)Enthalpy of Vaporization: 57.35 kJ/mol; (20)Boiling Point: 302.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000425 mmHg at 25 °C.
Uses of Boronic acid,B-(5-methyl-2-thienyl)-: it can be used to produce 2,2-Dimethoxy-5-(5-methyl-thiophen-2-yl)-indan-1,3-dione. This reaction is a kind of Suzuki coupling. It will need reagent Na2CO3, catalyst Pd(PPh3)4 and solvents Benzene; Ethanol. And this reaction will need heating. The yield is about 47%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. Keep container tightly closed and in a well-ventilated place. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H7BO2S/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3
(2)InChIKey: NRIYPIBRPGAWDD-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C5H7BO2S/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3
(4)Std. InChIKey: NRIYPIBRPGAWDD-UHFFFAOYSA-N