5-(Chloro)carbonyl-6-nitro-1,3-benzodioxole

Base Information

• Chemical Name: 5-(Chloro)carbonyl-6-nitro-1,3-benzodioxole
• CAS No.: 50425-29-1
• Molecular Formula: C8H4ClNO5
• Molecular Weight: 229.576
• DSSTox Substance ID: DTXSID70574304
• Wikidata: Q82463300
• Mol file: 50425-29-1.mol

Synonyms:50425-29-1;6-Nitro-1,3-benzodioxole-5-carbonyl chloride;5-(chloro)carbonyl-6-nitro-1,3-benzodioxole;1,3-Benzodioxole-5-carbonyl chloride, 6-nitro-;6-Nitrobenzo[d][1,3]dioxole-5-carbonyl chloride;4,5-methylenedioxy-2-nitrobenzoyl chloride;SCHEMBL6593403;DTXSID70574304;ZOVGDBZRBILXPG-UHFFFAOYSA-N;MFCD25963880;6-Nitro-2H-1,3-benzodioxole-5-carbonyl chloride

Chemical Property of 5-(Chloro)carbonyl-6-nitro-1,3-benzodioxole

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 228.9777999
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)C(=O)Cl)[N+](=O)[O-]