CAS 150691-04-6 Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)- (HCID 4997616)

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Basic information

CAS: 150691-04-6
Standard SMILES: CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O
InChIKey: TUEIURIZJQRMQE-UHFFFAOYSA-N
Molecular formula: C10H16BNO4S
Average molar mass: 257.12 g/mol
Monoisotopic mass: 257.08930939

Names & identifiers

Preferred name: Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-
IUPAC: [2-(tert-butylsulfamoyl)phenyl]boronic acid
English name: 2-(tert-Butylamino)sulfonylphenylboronic acid
Molecular formula: C10H16BNO4S
Molecular weight: 257.11

Names & synonyms

Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-RefChem:570127604-746-3150691-04-6(2-(N-(tert-Butyl)sulfamoyl)phenyl)boronic acid2-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic AcidMFCD013189432-(t-Butylamino)sulfonylphenylboronic acid2-(TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID2-(N-TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID

Show more names

AKOS BRN-0531CHEMBRDG-BB 3200963N-TERT-BUTYLBENZENESULFONAMIDE-2-BORONIC ACID(2-((TERT-BUTYLAMINO)SULFANYL)PHENYL) BORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic acid - [S20138]

Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-SCHEMBL519774SCHEMBL29442141DTXSID60407374TUEIURIZJQRMQE-UHFFFAOYSA-NAKOS0041192982-Borono-N-tert-butylbenzenesulfonamideAB08766

Properties

Computed structural properties

Topological polar surface area: 95 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 344

Physicochemical properties

Melting point: 118 · 118-119 °C
Boiling point: 443.2 · 443.2±55.0 °C(Predicted)
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8 · 8.00±0.53(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.