3-Nitrophthalic anhydride, 97%

Description

CAS: 641-70-3 | C8H3NO5 | 193.11 g/mol

4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to yield phthalimidoquinazolinones.

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
4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to yield phthalimidoquinazolinones.

Solubility
May decompose in water.

Notes
Air sensitive. Store at room temperature. Keep away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 641-70-3
• Molecular Formula: C8H3NO5
• Molecular Weight (g/mol): 193.11
• MDL Number: MFCD00005921
• InChI Key: ROFZMKDROVBLNY-UHFFFAOYSA-N
• Synonym: 3-nitrophthalic anhydride, 4-nitroisobenzofuran-1,3-dione, 1,3-isobenzofurandione, 4-nitro, phthalic anhydride, 3-nitro, 3-nitro phthalic anhydride, 3-nitrophthalic acid anhydride, 1,3-isobenzofurandione, nitro, 4-nitro-isobenzofuran-1,3-dione, 3-nitrophthalicanhydride, nitrophthalic anhydride
• PubChem CID: 21631
• SMILES: [O-][N+](=O)C1=CC=CC2=C1C(=O)OC2=O

• Melting Point: 161°C to 166°C
• Quantity: 100 g
• Beilstein: 179963
• Sensitivity: Moisture sensitive
• Solubility Information: May decompose in water.
• IUPAC Name: 4-nitro-2-benzofuran-1,3-dione
• Formula Weight: 193.11
• Percent Purity: 97%
• Chemical Name or Material: 3-Nitrophthalic anhydride

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	211-373-6
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only