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3-Nitrophthalic anhydride

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3-Nitrophthalic anhydride Basic information

Product Name:
3-Nitrophthalic anhydride
Synonyms:
  • 1,3-Isobenzofurandione, 4-nitro-
  • 1,3-Isobenzofurandione,4-nitro-
  • 3-Isobenzofurandione,4-nitro-1
  • NSC 4134
  • 3-Nitrophthalic anhydride, synthesis grade
  • 4-Nitrobenzo[c]furan-1,3-dione, 4-Nitro-2-benzofuran-1,3-dione, 4-Nitroisobenzofuran-1,3-dione
  • 3-Nitrophthalic anhydride,97%
  • Phthalic anhydride, 3-nitro- (6CI,7CI,8CI)
CAS:
641-70-3
MF:
C8H3NO5
MW:
193.11
EINECS:
211-373-6
Product Categories:
  • Anhydride Monomers
  • Monomers
  • Polymer Science
  • Carbonyl Compounds
  • Carboxylic Acid Anhydrides
  • Organic Building Blocks
  • Amines
  • Aromatics
  • Intermediates
  • Building Blocks
  • Carbonyl Compounds
  • Carboxylic Acid Anhydrides
  • Chemical Synthesis
  • Organic Building Blocks
  • Phthalic Acids, Esters and Derivatives
  • Dyes intermediates
Mol File:
641-70-3.mol
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3-Nitrophthalic anhydride Chemical Properties

Melting point:
163-165 °C (lit.)
Boiling point:
329.3°C (rough estimate)
Density 
1.6392 (rough estimate)
refractive index 
1.4700 (estimate)
storage temp. 
Store below +30°C.
form 
Crystalline Powder
color 
Beige to yellow
Water Solubility 
MAY DECOMPOSE
Sensitive 
Moisture Sensitive
BRN 
179963
CAS DataBase Reference
641-70-3(CAS DataBase Reference)
NIST Chemistry Reference
3-Nitrophthalic anhydride(641-70-3)
EPA Substance Registry System
1,3-Isobenzofurandione, 4-nitro- (641-70-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-37/39
WGK Germany 
3
10-21
TSCA 
Yes
HS Code 
29173980

MSDS

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3-Nitrophthalic anhydride Usage And Synthesis

Chemical Properties

Beige to yellow crystalline powder

Uses

An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472). Reactions with aminoquinazolinones yield phthalimidoquinazolinones.

Preparation

3-Nitrophthalic anhydride can be prepared by heating 3-nitrophthalic acid under various conditions and by the action of acetic anhydride, essentially as in the procedure described. The direct nitration of phthalic anhydride yields 3-nitrophthalic anhydride together with the isomeric 4-nitro compound.

Purification Methods

Crystallise it from *C6H6, *C6H6/pet ether, Me2CO, AcOH, or Ac2O (m 164-165o). Dry it at 100o. [Beilstein 17 III/IV 6149, 17/11 V 266.]

3-Nitrophthalic anhydride Preparation Products And Raw materials

Raw materials

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