6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine

Base Information

• Chemical Name: 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine
• CAS No.: 499770-96-6
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• DSSTox Substance ID: DTXSID10383513
• Wikidata: Q82175269
• Mol file: 499770-96-6.mol

Synonyms:6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine;499770-96-6;starbld0016519;SCHEMBL2544095;DTXSID10383513;QDRNTKFXSFDJCH-UHFFFAOYSA-N;MFCD05664399;MS-22194;FT-0728547;6-(bromomethyl)-3,4-dihydro-1,5-benzodioxepin;J-518049;6-(bromomethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine

Chemical Property of 6-(bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine

Chemical Property:

• Vapor Pressure: 0.000988mmHg at 25°C
• Melting Point: 78.3℃
• Refractive Index: 1.569
• Boiling Point: 312.2°Cat760mmHg
• Flash Point: 142.6°C
• PSA: 18.46000
• Density: 1.468g/cm³
• LogP: 2.74280
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

6-(BROMOMETHYL)-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC=CC(=C2OC1)CBr
• Uses: 6-(Bromomethyl)-3,4-dihydro-2H-1,5-benzodioxepine is useful for the preparation of benzylindazole derivatives for use as Bub1 kinase inhibitors.