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Home > Encyclopedia > 4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER

4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER

4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER structure

4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER 

structure
  • CAS No:

    214360-51-7

  • Formula:

    C12H18BNO4S

  • Chemical Name:

    4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER

  • Synonyms:

    4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER;BENZENESULFONAMIDE-4-BORONIC ACID PINACOL ESTER;4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzenesulfonamide;4-Boronobenzenesulfonamide,pinacol ester;Benzenesulfonamide-4-boronic acid pinacol ester ,98%;4-Sulphamoylbenzeneboronic acid, pinacol ester;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulphonamide;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-sulfamoylphenyl)boronate

  • Categories:

    Chemical Reagents  >  Organic Reagents

4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Basic Attributes

283.15

283.104950

DTXSID20585945

2935009090

Characteristics

87

1.2±0.1 g/cm3

427.143°C at 760 mmHg

212.1±29.3 °C

1.543

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER Use and Manufacturing

Used for preparation of Valdecoxib.

Computed Properties

Molecular Weight:283.16
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:283.1049594
Monoisotopic Mass:283.1049594
Topological Polar Surface Area:87
Heavy Atom Count:19
Complexity:419
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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