Name: 2,2'-BITHIOPHENE-5-BORONIC ACID
SKU: 132898-95-4

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Basic Information

Molecular Structure:
CAS No.:	132898-95-4
Name:	2,2'-BITHIOPHENE-5-BORONIC ACID
Article Data:	11

Formula:	C₈H₇BO₂S₂
Molecular Weight:	210.085
Synonyms:	Boronicacid, [2,2'-bithiophen]-5-yl- (9CI);(5-Bithienyl)boronic acid;([2,2'-Bithiophen]-5-yl)boronic acid;5-(2-Thienyl)-2-thienylboronic acid;
Density:	1.42 g/cm³
Melting Point:	163-165℃
Boiling Point:	416.1 °C at 760 mmHg
Flash Point:	205.5 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	96.94000
LogP:	1.15640

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Specification

The Boronic acid,B-[2,2'-bithiophen]-5-yl-, with the CAS registry number 132898-95-4, is also known as 5-Borono-2,2'-bithiophene. It belongs to the product categories of Azoles; Blocks; Boronic Acids. This chemical's molecular formula is C₈H₇BO₂S₂ and molecular weight is 210.08. What's more, its systematic name is 2,2'-Bithiophen-5-ylboronic acid. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-[2,2'-bithiophen]-5-yl- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 103.72; (6)ACD/BCF (pH 7.4): 91.79; (7)ACD/KOC (pH 5.5): 964.65; (8)ACD/KOC (pH 7.4): 853.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.94 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 54.27 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 21.51×10^-24 cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 205.5 °C; (20)Enthalpy of Vaporization: 70.57 kJ/mol; (21)Boiling Point: 416.1 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s2c(c1sc(B(O)O)cc1)ccc2
(2) InChI: InChI=1/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H
(3) InChIKey: PPHSULIZZOEBDD-UHFFFAOYAE