6-Amino-1,3-benzodioxole-5-carbonitrile

Base Information

• Chemical Name: 6-Amino-1,3-benzodioxole-5-carbonitrile
• CAS No.: 187164-87-0
• Molecular Formula: C8H6 N2 O2
• Molecular Weight: 162.148
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00350774
• Wikidata: Q82126879
• Mol file: 187164-87-0.mol

Synonyms:6-amino-1,3-benzodioxole-5-carbonitrile;187164-87-0;6-Aminobenzo[d][1,3]dioxole-5-carbonitrile;1,3-Benzodioxole-5-carbonitrile, 6-amino-;6-Amino-1,3-benzodioxol-5-yl cyanide;1,3-Benzodioxole-5-carbonitrile, 6-amino-;SCHEMBL1622661;DTXSID00350774;HMS1630C05;MFCD03768186;STK772152;AKOS005617685;2-amino-4,5-methylenedioxy-benzonitrile;6-Aminobenzo[1,3]dioxole-5-carbonitrile;CS-0214342

Chemical Property of 6-Amino-1,3-benzodioxole-5-carbonitrile

Chemical Property:

• Melting Point: 142 °C
• Boiling Point: 351.3±42.0 °C(Predicted)
• PKA: 1.99±0.20(Predicted)
• PSA: 68.27000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 1.45038
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

6-AMINO-1,3-BENZODIOXOLE-5-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)C#N)N

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