5-Cyanothiophene-2-boronic acid supplier

Name
5-Cyanothiophene-2-boronic acid
EINECS -0
CAS No. 305832-67-1
Density 1.42 g/cm³
Solubility insoluble in water
Melting Point 175 °C
Formula C₅H₄BNO₂S
Boiling Point 369.3 °C at 760 mmHg
Molecular Weight 152.969
Flash Point 177.1 °C
Transport Information
Appearance pink to beige powder
Safety 26-36/37/39-36
Risk Codes 22-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Boronicacid, (5-cyano-2-thienyl)- (9CI);(2-Cyanothien-5-yl)boronic acid;(5-Cyanothien-2-yl)boronic acid;(5-Cyanothiophen-2-yl)boronic acid;5-Cyano-2-thiopheneboronic acid;
PSA 92.49000
LogP -0.70042

5-Cyanothiophene-2-boronic acid Specification

The 5-Cyanothiophene-2-boronic acid, with CAS registry number 305832-67-1, belongs to the following product category: Boronic acids. It has the systematic name of (5-cyanothiophen-2-yl)boronic acid. This chemical is a kind of pink to beige powder. And it should be stored in the refrigerator.

Physical properties of 5-Cyanothiophene-2-boronic acid: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.28; (8)ACD/KOC (pH 7.4): 22.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.49 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 35.99 cm³; (15)Molar Volume: 107 cm³; (16)Polarizability: 14.27×10^-24cm³; (17)Surface Tension: 65.2 dyne/cm; (18)Enthalpy of Vaporization: 64.99 kJ/mol; (19)Vapour Pressure: 4.18E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Cyanothiophene-2-boronic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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: N#Cc1sc(B(O)O)cc1
(2)InChI: InChI=1/C5H4BNO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H
(3)InChIKey: ZEOMEPSYIIQIND-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H4BNO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H
(5)Std. InChIKey: ZEOMEPSYIIQIND-UHFFFAOYSA-N

Product Name

5-Cyanothiophene-2-boronic acid

5-Cyanothiophene-2-boronic acid Specification

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