2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane

Base Information

• Chemical Name: 2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane
• CAS No.: 133468-58-3
• Molecular Formula: C11H15BBrNO2
• Molecular Weight: 283.96
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50928124
• Wikidata: Q82902857
• Mol file: 133468-58-3.mol

Synonyms:133468-58-3;2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane;4-Bromobenzeneboronic acid N-methyldiethanolamine ester;115247-41-1;4H-1,3,6,2-Dioxazaborocine, 2-(4-bromophenyl)tetrahydro-6-methyl-;4-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester;4-Bromophenylboronic acid N-methyl diethanolamine cyclic ester;SCHEMBL2075021;4-BROMOBENZENEBORONICACIDN-METHYLDIETHANOLAMINEESTER;DTXSID50928124;BCP24960;MFCD02093957;AKOS004115092;WS-02368;CS-0062393;FT-0617859;W16766

Chemical Property of 2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 148-149°C
• Refractive Index: 1.552
• Boiling Point: 364.7°Cat760mmHg
• Flash Point: 174.4°C
• PSA: 21.70000
• Density: 1.36g/cm³
• LogP: 1.06080
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.03792
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

4-BROMOBENZENEBORONIC ACID N-METHYLDIETHANOLAMINE ESTER 95.00% ^*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:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCCN(CCO1)C)C2=CC=C(C=C2)Br
• Uses: 4-Bromobenzeneboronic acid N-methyldiethanolamine ester enables selective reaction of the bromo substituent with organometallic (e.g. lithium) derivatives.