2-Aminocarbonylphenylboronic acid

Base Information

• Chemical Name: 2-Aminocarbonylphenylboronic acid
• CAS No.: 380430-54-6
• Molecular Formula: C7H8BNO3
• Molecular Weight: 165.06
• Hs Code.: 29319090
• European Community (EC) Number: 800-713-4
• DSSTox Substance ID: DTXSID40372258
• Nikkaji Number: J2.382.400K
• Wikidata: Q82159856
• Mol file: 380430-54-6.mol

Synonyms:2-Aminocarbonylphenylboronic acid;380430-54-6;(2-carbamoylphenyl)boronic Acid;2-Carbamoylphenylboronic acid;2-Carbamoylbenzeneboronic acid;2-(aminocarbonyl)phenylboronic acid;BORONIC ACID, [2-(AMINOCARBONYL)PHENYL]-;MFCD02179454;2-AMINOCARBONYLPHENYLBORONICACID;2-(Dihydroxyboryl)benzamide;SCHEMBL54119;BENZO(A)ANTHRACENED12;DTXSID40372258;2-aminocarbonyl-phenylboronic acid;LBWJTKOVBMVJJX-UHFFFAOYSA-N;(2-aminocarbonylphenyl)boronic acid;AMY32762;[2-(aminocarbonyl)phenyl]boronic acid;AKOS006228433;CS-W016081;FS-5635;SY024846;FT-0644542;2-aminocarbonylphenylboronic acid, AldrichCPR;I11215;A823978;J-508028

Chemical Property of 2-Aminocarbonylphenylboronic acid

Chemical Property:

• Vapor Pressure: 1.81E-07mmHg at 25°C
• Melting Point: 226-230 °C
• Refractive Index: 1.585
• Boiling Point: 410.3 °C at 760 mmHg
• PKA: 8.21±0.53(Predicted)
• Flash Point: 201.9 °C
• PSA: 83.55000
• Density: 1.328 g/cm³
• LogP: -0.83440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.0597233
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

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

2-AminocarbonylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=CC=C1C(=O)N)(O)O
• Uses: 2-Aminocarbonylphenylboronic acid acts as a reagent in the preparation of RIPK2 inhibitors for the treatment of inflammatory diseases.