3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride

Base Information

• Chemical Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride
• CAS No.: 306934-86-1
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.63
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20380033
• Wikidata: Q82170053
• Mol file: 306934-86-1.mol

Synonyms:3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride;306934-86-1;2H-1,5-Benzodioxepin-7-carbonyl chloride, 3,4-dihydro-;SCHEMBL1189145;DTXSID20380033;DEUUMBWFBYMBNA-UHFFFAOYSA-N;MFCD02677702;AKOS004118533;FT-0614312;J-511170;3,4-dihydro-2h-benzo[b][1,4]dioxepine-7-carbonyl chloride;3,4-Dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride, AldrichCPR

Chemical Property of 3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000393mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 317.1 °C at 760 mmHg
• Flash Point: 138.6 °C
• PSA: 35.53000
• Density: 1.308 g/cm³
• LogP: 2.22690
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=C(C=C2)C(=O)Cl)OC1