ChemicalBook--->CAS DataBase List--->380430-57-9

380430-57-9

380430-57-9 Structure

380430-57-9 Structure
IdentificationMore
[Name]

4-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID
[CAS]

380430-57-9
[Synonyms]

4-METHANESULFONYLAMINOPHENYLBORONIC ACID
(4-METHYLSULFONYL)AMINOBENZENEBORONIC ACID
4-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID
4-N-(METHANESULFONAMIDE)PHENYLBORONIC ACID
AKOS BRN-0584
N-4-METHANESULFONAMIDEPHENYLBORONIC ACID
Boronic acid, [4-[(methylsulfonyl)amino]phenyl]-(9CI)
4-(Methylsulphonyl)aminobenzeneboronic acid 95%
[Molecular Formula]

C7H10BNO4S
[MDL Number]

MFCD02179473
[Molecular Weight]

215.03
[MOL File]

380430-57-9.mol
Chemical PropertiesBack Directory
[Melting point ]

148-154°C
[Boiling point ]

421.8±55.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

solid
[pka]

8.42±0.10(Predicted)
[color ]

Beige
[InChI]

1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
[InChIKey]

NDVJJEADFLTFCD-UHFFFAOYSA-N
[SMILES]

CS(=O)(=O)Nc1ccc(cc1)B(O)O
[CAS DataBase Reference]

380430-57-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

1
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Reactant for preparation of:
  • Potent and selective inhibitors of IKK-β
  • Inhibitors for treatment of osteoporosis
  • Inhibitors of human farnesyl pyrophosphate synthase
  • Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors
[Uses]

Reactant for preparation of:• ;Potent and selective inhibitors of IKK-β1• ;Inhibitors for treatment of osteoporosis2• ;Inhibitors of human farnesyl pyrophosphate synthase3• ;Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors4
Spectrum DetailBack Directory
[Spectrum Detail]

4-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID(380430-57-9)1HNMR
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