3-Nitrophthalic anhydride
- Product Name
- 3-Nitrophthalic anhydride
- CAS No.
- 641-70-3
- Chemical Name
- 3-Nitrophthalic anhydride
- Synonyms
- 1,3-Isobenzofurandione, 4-nitro-;3-Nitrophthalic Acid Anhydride;4-NITRO-ISOBENZOFURAN-1,3-DIONE;NSC 4134;NSC 27006;3-NitrophthaL;Pomalidomide INT;Apremilast Impurity 90;Pomadomide impurity 36.;Pomalidomide Impurity 36
- CBNumber
- CB8116378
- Molecular Formula
- C8H3NO5
- Formula Weight
- 193.11
- MOL File
- 641-70-3.mol
3-Nitrophthalic anhydride Property
- 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
- InChI
- InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H
- InChIKey
- ROFZMKDROVBLNY-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)O1
- 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)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-37/39
- WGK Germany
- 3
- F
- 10-21
- TSCA
- Yes
- HS Code
- 29173980
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 8.20903
- Product name
- 3-Nitrophthalic anhydride
- Purity
- for synthesis
- Packaging
- 25g
- Price
- $89.9
- Updated
- 2025/07/31
- Product number
- 8.20903
- Product name
- 3-Nitrophthalic anhydride
- Purity
- for synthesis
- Packaging
- 100g
- Price
- $168
- Updated
- 2025/07/31
- Product number
- 156884
- Product name
- 3-Nitrophthalic anhydride
- Purity
- 98%
- Packaging
- 5g
- Price
- $78.9
- Updated
- 2025/07/31
- Product number
- 156884
- Product name
- 3-Nitrophthalic anhydride
- Purity
- 98%
- Packaging
- 25g
- Price
- $179.9
- Updated
- 2025/07/31
- Product number
- N0245
- Product name
- 3-Nitrophthalic Anhydride
- Purity
- >97.0%(GC)(T)
- Packaging
- 25g
- Price
- $31
- Updated
- 2025/07/31
3-Nitrophthalic anhydride Chemical Properties,Usage,Production
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.
Uses
4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to 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.
Synthesis
603-11-2
641-70-3
General procedure for the synthesis of 3-nitrophthalic anhydride from 3-nitrophthalic acid: 474.8 g (2.25 mol) of 3-nitrophthalic acid was dissolved in 450 ml of acetic anhydride and the reaction was stirred under reflux conditions for 1 hour. Upon completion of the reaction, the reaction solution was slowly cooled to 80 °C. Subsequently, 1000 ml of methyl tert-butyl ether (MTBE) was quickly added and the mixture was cooled to 15 °C to promote crystallization. The resulting solid product was separated by filtration, washed with methyl tert-butyl ether (MTBE) and finally dried in a vacuum oven at 40 °C. The yield of the reaction was 88.8%.
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.]
References
[1] Organic Letters, 2010, vol. 12, # 21, p. 4796 - 4799
[2] Bioorganic Chemistry, 2018, vol. 81, p. 373 - 381
[3] Synthetic Communications, 2016, vol. 46, # 16, p. 1343 - 1348
[4] Patent: WO2007/6566, 2007, A1. Location in patent: Page/Page column 28; 32-33
[5] Tetrahedron Letters, 2017, vol. 58, # 32, p. 3160 - 3163
3-Nitrophthalic anhydride Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Nitrophthalic anhydride manufacturers
- Product
- 3-Nitrophthalic anhydride 641-70-3
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 100kg
- Release date
- 2025-08-29
- Product
- 3-Nitrophthalic anhydride 641-70-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- Customise
- Release date
- 2025-08-22
- Product
- 3-Nitrophthalic anhydride 641-70-3
- Price
- US $120.00-1200.00/g
- Min. Order
- 1g
- Purity
- 98%min
- Supply Ability
- 200tons
- Release date
- 2025-08-19