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121177-82-0

121177-82-0 Structure

121177-82-0 Structure
IdentificationMore
[Name]

4-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID
[CAS]

121177-82-0
[Synonyms]

4-(METHYLCARBAMOYL)PHENYLBORONIC ACID
4-(N-METHYLAMINOCARBONYL)BENZENEBORONIC ACID
4-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID
4-(Methylcarbamoyl)benzeneboronic acid
[Molecular Formula]

C8H10BNO3
[MDL Number]

MFCD03788427
[Molecular Weight]

178.98
[MOL File]

121177-82-0.mol
Chemical PropertiesBack Directory
[Melting point ]

200-220°C
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

8.32±0.17(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
[InChIKey]

UWKSYZHFTGONHY-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(C(NC)=O)C=C1)(O)O
[CAS DataBase Reference]

121177-82-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
[Hazard Note ]

Irritant
[HS Code ]

2931900090
Hazard InformationBack Directory
[Uses]

[4-(Methylcarbamoyl)phenyl]boronic Acid is a useful reagent for developing inhibitors for epoxide hydrolase virulence factor from Pseudomonas aeruginosa and HIV-1 maturation.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID(121177-82-0)1HNMR
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