7-(2,3-Dihydroxypropyl)theophylline, 99%, Thermo Scientific™

Brand:  Thermo Scientific Acros 115051000

Product Code. 10080830

Description

This Thermo Scientific brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific.

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
• CAS: 479-18-5
• CAS Max %: 100.0
• Melting Point: 160°C to 165°C
• Assay Percent Range: 99%
• Molecular Formula: C₁₀H₁₄N₄O₄
• Packaging: Glass bottle
• Synonym: dyphylline, diprophylline, diphylline, 7-2,3-dihydroxypropyl theophylline, diprophyllin, glyphylline, neothylline, lufyllin, aristophyllin, diprofilline
• 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

• Name Note: 99%
• CAS Min %: 98.5
• Color: White
• Loss on Drying: 0.5% max. (1 g, 105°C)
• Infrared Spectrum: Authentic
• MDL Number: MFCD00005759
• Merck Index: 15, 3526
• Quantity: 100g
• 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.

RUO – Research Use Only