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641-70-3

641-70-3 Structure

641-70-3 Structure
IdentificationMore
[Name]

3-Nitrophthalic anhydride
[CAS]

641-70-3
[Synonyms]

3-NITROPHTHALIC ANHYDRIDE
4-NITRO-ISOBENZOFURAN-1,3-DIONE
1,3-Isobenzofurandione, 4-nitro-
1,3-Isobenzofurandione,4-nitro-
3-Isobenzofurandione,4-nitro-1
4-Nitro-2-benzofuran-1,3-dione
4-nitro-3-isobenzofurandione
Phthalic anhydride, 3-nitro-
1-Amino-2-Indolinon (CIS)
4-Nitro-1,3-iso benzofurandione
3-NITROPHTHALIC ANHYDRIDE ,99+%
3-Nitrophthalic Acid Anhydride
NSC 27006
NSC 4134
[EINECS(EC#)]

211-373-6
[Molecular Formula]

C8H3NO5
[MDL Number]

MFCD00005921
[Molecular Weight]

193.11
[MOL File]

641-70-3.mol
Chemical PropertiesBack Directory
[Appearance]

Beige to yellow crystalline powder
[Melting point ]

163-165 °C (lit.)
[mp ]

163-165 °C(lit.)
[Boiling point ]

329.3°C (rough estimate)
[density ]

1.6392 (rough estimate)
[refractive index ]

1.4700 (estimate)
[storage temp. ]

Store at RT.
[form ]

Crystalline Powder
[color ]

Beige to yellow
[Water Solubility ]

MAY DECOMPOSE
[Sensitive ]

Moisture Sensitive
[Usage]

An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472)
[BRN ]

179963
[CAS DataBase Reference]

641-70-3(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Nitrophthalic anhydride(641-70-3)
[EPA Substance Registry System]

641-70-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

Yes
[HS Code ]

29173980
Raw materials And Preparation ProductsBack Directory
【Raw materials】

3-Nitrophthalic acid-->1-Nitronaphthalene
【Preparation Products】

3-CHLOROPHTHALIC ANHYDRIDE-->2-Amino-3-nitrobenzoic acid-->2-Amino-3-nitrobenzamide-->DIMETHYL 3-NITROPHTHALATE-->1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Nitrophthalic anhydride(641-70-3).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Nitrophthalic anhydride(641-70-3) 1H NMR
3-Nitrophthalic anhydride(641-70-3) Raman
3-Nitrophthalic anhydride(641-70-3) 13C NMR
3-Nitrophthalic anhydride(641-70-3) ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Nitrophthalic anhydride, 97%(641-70-3)
[Alfa Aesar]

3-Nitrophthalic anhydride, 97%(641-70-3)
[Sigma Aldrich]

641-70-3(sigmaaldrich)
[TCI AMERICA]

3-Nitrophthalic Anhydride,>97.0%(T)(641-70-3)
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