4-(N-Methylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(N-Methylaminocarbonyl)phenylboronic acid
• CAS No.: 121177-82-0
• Molecular Formula: C8H10BNO3
• Molecular Weight: 178.98
• Hs Code.: 2933990090
• European Community (EC) Number: 691-949-5
• DSSTox Substance ID: DTXSID10378525
• Nikkaji Number: J3.205.721G
• Wikidata: Q82168011
• Mol file: 121177-82-0.mol

Synonyms:4-(N-Methylaminocarbonyl)phenylboronic acid;121177-82-0;[4-(methylcarbamoyl)phenyl]boronic Acid;4-(methylcarbamoyl)phenylboronic acid;(4-(methylcarbamoyl)phenyl)boronic acid;4-(METHYLCARBAMOYL)BENZENEBORONIC ACID;MFCD03788427;Boronic acid, [4-[(methylamino)carbonyl]phenyl]-;4-(N-Methylaminocarbonyl)phenylboronicacid;4-[(methylamino)carbonyl]phenylboronic acid;SCHEMBL247671;DTXSID10378525;UWKSYZHFTGONHY-UHFFFAOYSA-N;N-Methyl-4-(dihydroxyboryl)benzamide;4-(methyl carbamoyl)phenylboronic acid;AKOS006228815;AB16009;CS-W022019;PS-9450;4-(N-methylcarbamoyl)phenylboronic acid;AM803041;SY006669;4-(N-methylaminocarbonyl)phenyl boronic acid;FT-0600673;M3056;[4-(N-methylaminocarbonyl)phenyl]boronic acid;{4-[(methylamino)carbonyl]phenyl}boronic acid;EN300-6740657;A804683;J-501322;4-(N-Methylaminocarbonyl)phenylboronic acid, AldrichCPR;Z1171974290;4-(Methylcarbamoyl)phenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 4-(N-Methylaminocarbonyl)phenylboronic acid

Chemical Property:

• Melting Point: 200-220 °C
• Refractive Index: 1.553
• PSA: 69.56000
• Density: 1.238 g/cm³
• LogP: -0.88310
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.0753733
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

[4-(Methylcarbamoyl)phenyl]boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NC)(O)O
• 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.