7-(2,3-Dihydroxypropyl)theophylline, 99%, ACROS Organics™

Brand:  Acros Organics 115051000

Product Code. 10080830

Chemical Identifiers

• CAS: 479-18-5
• Molecular Weight (g/mol): 254.24
• InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N
• PubChem CID: 3182
• IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione

• Molecular Formula: C₁₀H₁₄N₄O₄
• MDL Number: MFCD00005759
• Synonym: dyphylline, diprophylline, diphylline, 7-2,3-dihydroxypropyl theophylline, diprophyllin, glyphylline, neothylline, lufyllin, aristophyllin, diprofilline
• ChEBI: CHEBI:4728
• SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

Specifications

• Chemical Name or Material: 7-(2, 3-Dihydroxypropyl)theophylline
• Loss on Drying: 0.5% max. (1 g, 105°C)
• Color: White
• Quantity: 100g
• CAS: 479-18-5
• CAS Max %: 100.0
• Molecular Formula: C₁₀H₁₄N₄O₄
• Merck Index: 15, 3526
• Solubility Information: Solubility in water: 1g/3mL (25 c). Other solubilities: 2g/100mL ethanol,1g/100mL chloroform
• SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
• Molecular Weight (g/mol): 254.24
• ChEBI: CHEBI:4728
• Physical Form: Powder

• Infrared Spectrum: Authentic
• Packaging: Glass bottle
• Melting Point: 160°C to 165°C
• Name Note: 99%
• CAS Min %: 98.5
• Assay Percent Range: 99%
• MDL Number: MFCD00005759
• Synonym: dyphylline, diprophylline, diphylline, 7-2,3-dihydroxypropyl theophylline, diprophyllin, glyphylline, neothylline, lufyllin, aristophyllin, diprofilline
• InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N
• IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
• PubChem CID: 3182
• Formula Weight: 254.24
• Percent Purity: 99%

Safety and Handling

Product Identifier

• 7-(2,3-Dihydroxypropyl)theophylline

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4

Hazard Statement

• H302-Harmful if swallowed.

Precautionary Statement

• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.