8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid

Base Information

• Chemical Name: 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid
• CAS No.: 66410-81-9
• Molecular Formula: C10H9ClO6S
• Molecular Weight: 292.6929
• European Community (EC) Number: 266-351-9
• DSSTox Substance ID: DTXSID70216636
• Nikkaji Number: J286.786I
• Wikidata: Q83092892

Synonyms:EINECS 266-351-9;66410-81-9;8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid;C10H9ClO6S;C10-H9-Cl-O6-S;SCHEMBL10368892;DTXSID70216636;8-(CHLOROSULFONYL)-3,4-DIHYDRO-2H-BENZO-1,5-DIOXEPIN-6-CARBOXYLIC ACID;8-Chlorosulfonyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid

Chemical Property of 8-(Chlorosulphonyl)-3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylicacid

Chemical Property:

• Vapor Pressure: 1.1E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• PKA: 2.89±0.20(Predicted)
• Flash Point: 238.8°C
• PSA: 98.28000
• Density: 1.579g/cm³
• LogP: 2.55440
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 291.9808369
• Heavy Atom Count: 18
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC(=CC(=C2OC1)C(=O)O)S(=O)(=O)Cl

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