2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane

Base Information

• Chemical Name: 2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane
• CAS No.: 374538-00-8
• Molecular Formula: C11H15 B Br N O2
• Molecular Weight: 283.96
• DSSTox Substance ID: DTXSID70434631
• Wikidata: Q82249095
• Mol file: 374538-00-8.mol

Synonyms:374538-00-8;2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane;3-Bromobenzeneboronic Acid N-Methyldiethanolamine Ester;DTXSID70434631;ZPA53800;MFCD02093962;AKOS024284794;AS-55781;CS-0128898;FT-0615199;D86908;A823662

Chemical Property of 2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 128-129°C
• Refractive Index: 1.553
• Boiling Point: 374.8°Cat760mmHg
• PKA: 7.31±0.20(Predicted)
• Flash Point: 180.4°C
• PSA: 21.70000
• Density: 1.36g/cm³
• LogP: 1.06080
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.03792
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: B1(OCCN(CCO1)C)C2=CC(=CC=C2)Br