Theophylline, Thermo Scientific Chemicals

Description

Theophylline has been used to study its effects on rat gene expression in the ubiquitin-proteasome pathway that regulates spermatogenesis and epididymal sperm quality. Theophylline has also been used as an internal standard for the measurement of plasma paracetamol levels in humans.

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

Applications
Theophylline has been used to study its effects on rat gene expression in the ubiquitin-proteasome pathway that regulates spermatogenesis and epididymal sperm quality. Theophylline has also been used as an internal standard for the measurement of plasma paracetamol levels in humans.

Solubility
Soluble in ethanol (moderately), DMSO, alkali hydroxides, ammonia, dilute hyrochloric acid, nitric acid, dilute aqueous acid, and dilute aqueous base. Insoluble in water.

Notes
Store in cool. Keep container tightly closed in a dry and well-ventilated place. Store away from oxidizing agent.

Specifications

Chemical Identifiers

• CAS: 58-55-9
• Molecular Formula: C7H8N4O2
• Molecular Weight (g/mol): 180.167
• MDL Number: MFCD00079619
• InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
• Synonym: theophylline, 1,3-dimethylxanthine, elixophyllin, theophyllin, theolair, nuelin, theophylline anhydrous, respbid, theocin, theo-dur
• PubChem CID: 2153
• ChEBI: CHEBI:28177
• IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione
• SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

• Melting Point: 270°C to 274°C
• Color: White
• Odor: Odorless
• Quantity: 454 g
• UN Number: UN2811
• Beilstein: 13463
• Merck Index: 14,9285
• Solubility Information: Soluble in ethanol (moderately),DMSO,alkali hydroxides,ammonia,dilute hyrochloric acid,nitric acid,dilute aqueous acid,and dilute aqueous base. Insoluble in water.
• Formula Weight: 180.16
• Physical Form: Powder
• Chemical Name or Material: Theophylline

Safety and Handling

Hazard Category	H301
Hazard Statement	GHS H Statement H301 Toxic if swallowed.
Precautionary Statement	P264b-P270-P301+P310-P330-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
EINECSNumber	200-385-7
RTECSNumber	XH3850000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only