Theophylline-7-acetic acid, 98%

Description

CAS: 652-37-9 | C9H9N4NaO4 | 260.19 g/mol

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.

Specifications

Chemical Identifiers

• CAS: 652-37-9
• Molecular Formula: C9H9N4NaO4
• Molecular Weight (g/mol): 260.19
• MDL Number: MFCD00022832
• InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M
• Synonym: acefylline, theophylline-7-acetic acid, acephylline, theophyllineacetic acid, carboxymethyltheophylline, 7-carboxymethyl theophylline, 7-theophyllinylacetic acid, theophyllin-7-ylacetic acid, 7-theophyllinessigsaeure, 7-theophyllineacetic acid
• PubChem CID: 69550
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
• SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

• Melting Point: 268°C to 272°C
• Quantity: 500 g
• Beilstein: 279221
• Merck Index: 14,24
• Formula Weight: 238.2
• Percent Purity: 98%
• Chemical Name or Material: Theophylline-7-acetic acid

Safety and Handling

Hazard Category	H302-H315-H319-H335
Hazard Statement	GHS H Statement H302-H315-H319-H335 Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
EINECSNumber	211-490-2
RTECSNumber	UO7451300
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only