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| CAS No.: | 154566-69-5 |
|---|---|
| Name: | 5-METHYL-4-BROMOTHIOPHEN-2-YLBORONIC ACID |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C5H6BBrO2S |
| Molecular Weight: | 220.882 |
| Synonyms: | Boronicacid, (4-bromo-5-methyl-2-thienyl)- (9CI);3-Bromo-2-methyl-5-thienylboronicacid;3-Bromo-2-methyl-thienylboronic acid;4-Bromo-5-methyl-2-thiopheneboronicacid; |
| Density: | 1.75 g/cm3 |
| Boiling Point: | 357.5 °C at 760 mmHg |
| Flash Point: | 170 °C |
| Appearance: | off-white solid |
| PSA: | 68.70000 |
| LogP: | 0.49880 |
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- Total:26 Page 1 of 1 1
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Specification
The Boronic acid,B-(4-bromo-5-methyl-2-thienyl)- is an organic compound with the formula C5H6BBrO2S. The systematic name of this chemical is (4-Bromo-5-methyl-2-thienyl)boronic acid. With the CAS registry number 154566-69-5, it is also named as 4-Bromo-5-methylthiophene-2-boronic acid. Besides, its molecular weight is 220.88.
Physical properties about Boronic acid,B-(4-bromo-5-methyl-2-thienyl)- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 42.67; (5)ACD/BCF (pH 7.4): 28.66; (6)ACD/KOC (pH 5.5): 510.12; (7)ACD/KOC (pH 7.4): 342.6; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 68.7 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 43.77 cm3; (14)Molar Volume: 126.1 cm3; (15)Polarizability: 17.35×10-24 cm3; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.75 g/cm3; (18)Flash Point: 170 °C; (19)Enthalpy of Vaporization: 63.62 kJ/mol; (20)Boiling Point: 357.5 °C at 760 mmHg; (21)Vapour Pressure: 9.85E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3
(2)InChIKey: CVCCYVWSTHTZFM-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3
(4)Std. InChIKey: CVCCYVWSTHTZFM-UHFFFAOYSA-N