Theophylline, 8-(o-chloroanilino)-

Base Information

• Chemical Name: Theophylline, 8-(o-chloroanilino)-
• CAS No.: 5429-34-5
• Molecular Formula: C13H12ClN5O2
• Molecular Weight: 305.7197
• NSC Number: 14125
• DSSTox Substance ID: DTXSID60202644
• Nikkaji Number: J48.718J
• Wikidata: Q83075961
• Mol file: 5429-34-5.mol

Synonyms:Theophylline, 8-(o-chloroanilino)-;8-(o-Chloroanilino)theophylline;8-(o-Chlorophenylamino)theophylline;5429-34-5;NSC 14125;8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione;NSC14125;DTXSID60202644;NSC-14125;1H-Purine-2,6-dione, 8-((2-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-;1H-Purine-2, 8-[(2-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

Chemical Property of Theophylline, 8-(o-chloroanilino)-

Chemical Property:

• Vapor Pressure: 2.04E-11mmHg at 25°C
• Boiling Point: 532.4°Cat760mmHg
• Flash Point: 275.8°C
• Density: 1.521g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 305.0679523
• Heavy Atom Count: 21
• Complexity: 448

Purity/Quality:

98% ^*data from raw suppliers

8-(O-CHLOROANILINO)THEOPHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3Cl

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