2,1,3-Benzothiadiazole-4,7-diboronic acid, pinacol ester
Catalog Number
ACM934365169-2
CAS
934365-16-9
IUPAC Name
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
Synonyms
2,1,3-Benzothiadiazole-4,7-bis(pinacolato)diboronic ester
Molecular Weight
388.1
Product Information
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=NSN=C23)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C18H26B2N2O4S/c1-15(2)16(3,4)24-19(23-15)11-9-10-12(14-13(11)21-27-22-14)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3
InChI Key
DHWADSHFLSDMBJ-UHFFFAOYSA-N
Boiling Point
482.6±30.0 °C/760mmHg (lit.)
Melting Point
214 °C
Flash Point
245.7±24.6 °C
Purity
95%+
Density
1.2±0.1 g/cm³
Solubility
Soluble in toluene
Appearance
Off-white powder
Complexity
522
Covalently-Bonded Unit Count
1
Exact Mass
388.1799388
Heavy Atom Count
27
Monoisotopic Mass
388.1799388
Refractive Index
n20/D 1.544 (lit.)
Topological Polar Surface Area
90.9 Ų
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