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Theophylline-7-acetic acid, 98%

Catalog No. p-7081475
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AAA1147314 25 g
AAA1147322 100 g
AAA1147336 500 g
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Catalog No. AAA1147314 Supplier Thermo Scientific Chemicals Supplier No. A1147314
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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.

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

Specifications

Melting Point 268°C to 272°C
Quantity 25 g
Beilstein 279221
Merck Index 14,24
Formula Weight 238.2
Percent Purity 98%
Chemical Name or Material Theophylline-7-acetic acid
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

RUO – Research Use Only