Methyl (4-boronobenzoylamino)acetate

Base Information

• Chemical Name: Methyl (4-boronobenzoylamino)acetate
• CAS No.: 850568-24-0
• Molecular Formula: C10H12BNO5
• Molecular Weight: 237.02
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20390950
• Wikidata: Q82188111
• Mol file: 850568-24-0.mol

Synonyms:850568-24-0;Methyl (4-boronobenzoylamino)acetate;4-(2-METHOXY-2-OXOETHYLCARBAMOYL)PHENYLBORONIC ACID;(4-((2-Methoxy-2-oxoethyl)carbamoyl)phenyl)boronic acid;[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]boronic acid;Glycine,N-(4-boronobenzoyl)-, 1-methyl ester;{4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl}boronic acid;DTXSID20390950;MFCD04115681;AKOS015833673;AB20382;AS-55687;CS-0176105;FT-0649092;A853751;(4-((2-Methoxy-2-oxoethyl)carbamoyl)phenyl)boronicacid;4-[(2-METHOXY-ETHOXY)AMINOCARBONYL]BENZENEBORONIC ACID

Chemical Property of Methyl (4-boronobenzoylamino)acetate

Chemical Property:

• Vapor Pressure: 1.93E-11mmHg at 25°C
• Melting Point: 124-130 °C
• Refractive Index: 1.589
• Boiling Point: 515.2°C at 760 mmHg
• PKA: 8.06±0.16(Predicted)
• Flash Point: 265.4°C
• PSA: 95.86000
• Density: 1.31 g/cm³
• LogP: -1.33990
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.0808526
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

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

4-[(2-Methoxy-2-oxoethyl)aminocarbonyl]benzeneboronic acid 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NCC(=O)OC)(O)O