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Selenophene-2-boronic acid

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Name

Selenophene-2-boronic acid

EINECS N/A
CAS No. 35133-86-9 Density N/A
PSA 40.46000 LogP -1.57660
Solubility N/A Melting Point N/A
Formula C4H5BO2Se Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 174.853 Flash Point 141 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35133-86-9 (Selenophene-2-boronic acid) Hazard Symbols IrritantXi
Synonyms

Selenophene,boronic acid deriv.;2-Selenopheneboronic acid;

 

Selenophene-2-boronic acid Specification

This chemical is called Boronic acid,selenophene-2-yl-, and its systematic name is Selenophen-2-ylboronic acid. With the molecular formula of C4H5BO2Se, its molecular weight is 174.85. The CAS registry number of this chemical is 35133-86-9.

Other characteristics of the Boronic acid,selenophene-2-yl- can be summarised as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.66; (6)ACD/BCF (pH 7.4): 2.44; (7)ACD/KOC (pH 5.5): 70.16; (8)ACD/KOC (pH 7.4): 64.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 141 °C; (14)Enthalpy of Vaporization: 58.11 kJ/mol; (15)Boiling Point: 309.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000273 mmHg at 25°C.

Uses of this chemical: The Boronic acid,selenophene-2-yl- could react with 2,5-dibromo-furan, and obtain the 2,5-di-selenophen-2-yl-furan. This reaction needs the reagent of aq. NaHCO3, and the solvent of 1,2-dimethoxy-ethane. The yield is 37 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.

You can still convert the following datas into molecular structure: 
1.SMILES: OB(O)c1[se]ccc1
2.InChI: InChI=1/C4H5BO2Se/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
3.InChIKey: DYEWXOXXBVEVJJ-UHFFFAOYAE

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