Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

Product Name	Tolcapone Impurity 1
Molecular Structure
CAS Registry Number	1187547-38-1
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms	2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl hydrogen sulfate
Molecular Formula	C14H11NO8S
Molecular Weight	353.3
InChI
InChI Key
Canonical SMILES	O=C(C1=CC=C(C)C=C1)C2=CC(OS(=O)(O)=O)=C(O)C([N+]([O-])=O)=C2

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Physical Data

Appearance	No data available
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available
Melting Point	No data available

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Spectra

No data available

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Route of Synthesis (ROS)

No data available

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Safety and Hazards

No data available

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Other Data

HS Code	382290
Storage	At room temperature and away from light
Related Chemicals

Use Pattern

Tolcapone Impurity 1 is chemically 2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl hydrogen sulfate. Tolcapone Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Tolcapone Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Tolcapone. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

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