2,6-Dihydroxy-3-nitrobenzonitrile

Base Information

• Chemical Name: 2,6-Dihydroxy-3-nitrobenzonitrile
• CAS No.: 233585-04-1
• Molecular Formula: C7H4N2O4
• Molecular Weight: 180.12
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30371174
• Wikidata: Q82158433
• Mol file: 233585-04-1.mol

Synonyms:2,6-dihydroxy-3-nitrobenzonitrile;233585-04-1;DTXSID30371174;MFCD00017325;AS-9105;CS-0328271;FT-0644079;3-nitro-2,6-bis(oxidanyl)benzenecarbonitrile;A816686

Chemical Property of 2,6-Dihydroxy-3-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 1.25E-05mmHg at 25°C
• Melting Point: 239 °C
• Boiling Point: 358.2°C at 760 mmHg
• PKA: 4.03±0.37(Predicted)
• Flash Point: 170.5°C
• PSA: 110.07000
• Density: 1.69g/cm³
• LogP: 1.40088
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 180.01710661
• Heavy Atom Count: 13
• Complexity: 253

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dihydroxy-3-nitrobenzonitrile, tech ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• 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: C1=CC(=C(C(=C1[N+](=O)[O-])O)C#N)O