3,5-Dinitro-o-cresol

Base Information

• Chemical Name: 3,5-Dinitro-o-cresol
• CAS No.: 497-56-3
• Molecular Formula: C7H6 N2 O5
• Molecular Weight: 198.15
• European Community (EC) Number: 623-007-6
• NSC Number: 8734
• UNII: GZL54GG8S5
• DSSTox Substance ID: DTXSID2075423
• Nikkaji Number: J55.422G
• Wikidata: Q81977043
• Mol file: 497-56-3.mol

Synonyms:3,5-Dinitro-o-cresol;2-Methyl-3,5-dinitrophenol;497-56-3;3,5-Dinitro-ortho-cresol;o-Cresol, 3,5-dinitro-;Phenol, 2-methyl-3,5-dinitro-;4,6-Dinitro-2-hydroxytoluene;CCRIS 3141;NSC 8734;GZL54GG8S5;AI3-00158;NSC-8734;NSC8734;o-Cresol,5-dinitro-;UNII-GZL54GG8S5;WLN: WNR CQ B1 ENW;SCHEMBL3132904;2-Methyl-3,5-dinitrophenol #;DTXSID2075423;AKOS024333791;BS-28894;LS-55389;EN300-1826349;AE-562/43461422

Chemical Property of 3,5-Dinitro-o-cresol

Chemical Property:

• Vapor Pressure: 2.12E-05mmHg at 25°C
• Melting Point: 85°C
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 350.8°Cat760mmHg
• PKA: 7.06±0.24(Predicted)
• Flash Point: 158.2°C
• PSA: 111.87000
• Density: 1.55g/cm³
• LogP: 2.56340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dinitro-o-cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 3,5-Dinitro-o-cresol is a nitro aromatic compound (NAC), a pollutant often found in trinitrotoluene red water.