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CAS No.: | 362612-66-6 |
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Name: | 4-(2-THIENYL)PHENYLBORONIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H9BO2S |
Molecular Weight: | 204.057 |
Synonyms: | Boronicacid, [4-(2-thienyl)phenyl]- (9CI);4-(2-Thienyl)benzeneboronic acid;[4-(2-Thienyl)phenyl]boronic acid; |
Density: | 1.298 g/cm3 |
Melting Point: | 249 °C |
Boiling Point: | 385.985 °C at 760 mmHg |
Flash Point: | 187.237 °C |
PSA: | 68.70000 |
LogP: | 1.09490 |
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The Boronicacid, B-[4-(2-thienyl)phenyl]- is an organic compound with the formula C10H9BO2S. The systematic name of this chemical is [4-(thiophen-2-yl)phenyl]boronic acid. With the CAS registry number 362612-66-6, it is also named as 4-(2-thienyl)phenylboronic acid. The product's categories are Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids & Esters; Phenyls & Phenyl-Het.
Physical properties about Boronicacid, B-[4-(2-thienyl)phenyl]- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 146; (5)ACD/BCF (pH 7.4): 133; (6)ACD/KOC (pH 5.5): 1232; (7)ACD/KOC (pH 7.4): 1121; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 68.7 Å2; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 56.136 cm3; (14)Molar Volume: 157.261 cm3; (15)Polarizability: 22.254×10-24cm3; (16)Surface Tension: 55.19 dyne/cm; (17)Density: 1.298 g/cm3; (18)Flash Point: 187.237 °C; (19)Enthalpy of Vaporization: 66.963 kJ/mol; (20)Boiling Point: 385.985 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2ccc(c1sccc1)cc2
(2)InChI: InChI=1/C10H9BO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7,12-13H
(3)InChIKey: DJEDGSABTJJBGN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H9BO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7,12-13H
(5)Std. InChIKey: DJEDGSABTJJBGN-UHFFFAOYSA-N