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Boronicacid, B-[4-(2-thienyl)phenyl]-

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Name

Boronicacid, B-[4-(2-thienyl)phenyl]-

EINECS N/A
CAS No. 362612-66-6 Density 1.298 g/cm3
PSA 68.70000 LogP 1.09490
Solubility N/A Melting Point 249 °C
Formula C10H9BO2S Boiling Point 385.985 °C at 760 mmHg
Molecular Weight 204.057 Flash Point 187.237 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 362612-66-6 (4-(2-THIENYL)PHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, [4-(2-thienyl)phenyl]- (9CI);4-(2-Thienyl)benzeneboronic acid;[4-(2-Thienyl)phenyl]boronic acid;

Article Data 1

Boronicacid, B-[4-(2-thienyl)phenyl]- Specification

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

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