CAS No.162607-17-2,5-BROMOTHIOPHENE-2-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162607-17-2
Name:	5-BROMOTHIOPHENE-2-BORONIC ACID
Article Data:	4

Formula:	C₄H₄BBrO₂S
Molecular Weight:	206.856
Synonyms:	Boronicacid, (5-bromo-2-thienyl)- (9CI);5-Bromo-2-thienylboronic acid;
Density:	1.87 g/cm³
Melting Point:	95-100 °C(lit.)
Boiling Point:	342.3 °C at 760 mmHg
Flash Point:	160.8 °C
Solubility:	Slightly soluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	68.70000
LogP:	0.19040

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Specification

The 5-Bromothiophene-2-boronic acid, with CAS registry number 162607-17-2, belongs to the following product categories: (1)Azoles; (2)Blocks; (3)Boronic Acids; (4)Bromides; (5)Thiophene & Benzothiophene; (6)B (Classes of Boron Compounds); (7)Functional Materials; (8)Reagents for Conducting Polymer Research; (9)Thiophene Derivatives (for Conduting Polymer Research); (10)Boronic Acids and Derivatives; (11)Heteroaryl. It has the systematic name of (5-bromothiophen-2-yl)boronic acid. This chemical should be stored at the temperature of 0-6°C.

Physical properties of 5-Bromothiophene-2-boronic acid: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 23.97; (6)ACD/BCF (pH 7.4): 20.76; (7)ACD/KOC (pH 5.5): 337.97; (8)ACD/KOC (pH 7.4): 292.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.7 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 39.15 cm³; (15)Molar Volume: 110 cm³; (16)Polarizability: 15.52×10^-24cm³; (17)Surface Tension: 61 dyne/cm; (18)Enthalpy of Vaporization: 61.85 kJ/mol; (19)Vapour Pressure: 2.93E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromothiophene-2-boronic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(B(O)O)cc1
(2)InChI: InChI=1/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
(3)InChIKey: USJPOBDLWVCPGG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
(5)Std. InChIKey: USJPOBDLWVCPGG-UHFFFAOYSA-N