1,3-Dinitrobenzene-13C6

Base Information

• Chemical Name: 1,3-Dinitrobenzene-13C6
• CAS No.: 201595-60-0
• Molecular Formula: C6H4N2O4
• Molecular Weight: 174.16
• European Community (EC) Number: 693-225-4
• DSSTox Substance ID: DTXSID10583995
• Wikidata: Q82475616
• Mol file: 201595-60-0.mol

Synonyms:1,3-Dinitrobenzene-13C6;201595-60-0;Benzene-13C6, 1,3-dinitro- (9CI);1,3-dinitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene;DTXSID10583995;1,3-Dinitro(~13~C_6_)benzene;Benzene-13c6,1,3-dinitro-(9ci);AKOS015889120;AT35438;1,3-Dinitrobenzene-13C6, 99 atom % 13C;J-013067;1,3-DINITROBENZENE-1,2,3,4,5,6-13C6

Chemical Property of 1,3-Dinitrobenzene-13C6

Chemical Property:

• Melting Point: 88-90 °C (lit.)
• Refractive Index: 1.612
• Boiling Point: 297 °C at 760 mmHg
• Flash Point: 150℃
• PSA: 91.64000
• Density: 1.486 g/cm³
• LogP: 2.54940
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.03723563
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dinitrobenzene-13C6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 5-26/27/28-33-40
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: [13CH]1=[13CH][13C](=[13CH][13C](=[13CH]1)[N+](=O)[O-])[N+](=O)[O-]