2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester

2-(tert-butylaMino)sulfonyl-phenylboronic acid picol ester · 2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester · 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(N-(tert-butyl)sulfamoyl)phenyl)boronate · Benzenesulfonamide, N-(1,1-dimethylethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

https://huagongshe.com/en/chemical/57469585

2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester molecular structure

Identifiers & Physical Properties

CAS No.	1260231-89-7
Molecular formula	C16H26BNO4S
Average molar mass	339.3 g/mol
Monoisotopic mass	339.16755971 g/mol
SMILES	CC(C)(C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIKey	FXHJZFAZENHBOW-UHFFFAOYSA-N
PubChem CID	57469585
DTXSID	DTXSID001125510

Chemical & Physical Properties

Topological polar surface area	73
Hydrogen bond donors	1
Hydrogen bond acceptors	5
Rotatable bonds	4
Heavy atoms	23
Formal charge	0
Complexity	517
Physical state	solid
InChI	1S/C16H26BNO4S/c1-14(2,3)18-23(19,20)13-11-9-8-10-12(13)17-21-15(4,5)16(6,7)22-17/h8-11,18H,1-7H3
InChIKey	FXHJZFAZENHBOW-UHFFFAOYSA-N
SMILES	CC1(C)C(C)(C)OB(C2=CC=CC=C2S(=O)(NC(C)(C)C)=O)O1
UNSPSC Code	12352111
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Water hazard class (WGK)	WGK 3
Storage class	11 - Combustible Solids
Hazard class	Eye Irrit. 2Skin Irrit. 2

Safety & Regulations

Water hazard class (WGK)	WGK 3
Signal word	Warning
GHS pictogram	GHS07
Storage class	11 - Combustible Solids
GHS hazard statements	H315-H319
Hazard class	Eye Irrit. 2Skin Irrit. 2
GHS precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313