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CAS Number: 934365-16-9
bis(3-hydroxy-2,3-dimethylbutan-2-yl) benzo[c][1,2,5]thiadiazole-4,7-diylbis(hydrogen boronate)

Structure

bis(3-hydroxy-2,3-dimethylbutan-2-yl) benzo[c][1,2,5]thiadiazole-4,7-diylbis(hydrogen boronate)
Name: bis(3-hydroxy-2,3-dimethylbutan-2-yl) benzo[c][1,2,5]thiadiazole-4,7-diylbis(hydrogen boronate)
Synonyms:
General Information
Product Number: 934365169

CAS Registry Number 934365-16-9
Name:
2,​1,​3-​Benzothiadiazole, 4,​7-​bis(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-
2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester)
2,1,3-Benzothiadiazole-4,7-bis(pinacolato)diboronic ester
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c][1,2,5]thiadiazole

 

Chemical Formula: C18H30B2N2O6S
Exact Mass: 424.20
Molecular Weight: 424.13
m/z: 424.20 (100.0%), 423.20 (49.2%), 425.20 (23.0%), 424.21 (9.9%), 422.21 (6.1%), 426.20 (5.2%), 426.21 (3.3%), 425.21 (2.3%), 423.21 (1.3%)

 

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

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=NSN=C23)B4OC(C(O4)(C)C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 208.5-209.5 °C Solv: hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Amb, Chad M.; Advanced Materials (Weinheim, Germany) 2010, V22(6), P724-728 CAPLUS
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