4-Nitrophthalonitrile
- CAS No.
- 31643-49-9
- Chemical Name:
- 4-Nitrophthalonitrile
- Synonyms
- 4-NITROPHTHALONITRILE;4-NITROPHTALONITRILE;4NPN;4-nitro phthalic nitrile;ROXA-012;RSYY（Avanafil)-57;TIMTEC-BB SBB008410;4-nitro-phthalonitril;Febuxostat Impurity 11;Febuxostat Impurities8
- CBNumber:
- CB9102334
- Molecular Formula:
- C8H3N3O2
- Molecular Weight:
- 173.13
- MOL File:
- 31643-49-9.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/10 17:45:06
| Melting point | 142-144 °C(lit.) |
|---|---|
| Boiling point | 303.75°C (rough estimate) |
| Density | 1.4553 (rough estimate) |
| refractive index | 1.6500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder, Crystals and/or Chunks |
| color | Light yellow, light greenish or light gray to beige |
| Water Solubility | Sparingly soluble in water.(0.26 g/L) (25°C), |
| BRN | 1877554 |
| CAS DataBase Reference | 31643-49-9(CAS DataBase Reference) |
| EPA Substance Registry System | 1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38-20/21/22 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TI8576000 | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29269090 | |||||||||
| Toxicity | mouse,LD50,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987. | |||||||||
| NFPA 704 |
|
4-Nitrophthalonitrile price More Price(5)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 330590 | 4-Nitrophthalonitrile 99% | 31643-49-9 | 5G | ₹28545.53 | 2022-06-14 | Buy |
| ALFA India | ALF-H33546-09 | 4-Nitrophthalonitrile, 97% | 31643-49-9 | 10g | ₹9384 | 2022-05-26 | Buy |
| TCI Chemicals (India) | N0524 | 4-Nitrophthalonitrile min. 98.0 % | 31643-49-9 | 25G | ₹15200 | 2022-05-26 | Buy |
| ALFA India | ALF-H33546-03 | 4-Nitrophthalonitrile, 97% | 31643-49-9 | 1g | ₹3171 | 2022-05-26 | Buy |
| TCI Chemicals (India) | N0524 | 4-Nitrophthalonitrile min. 98.0 % | 31643-49-9 | 100G | ₹19500 | 2022-05-26 | Buy |
4-Nitrophthalonitrile Chemical Properties,Uses,Production
Chemical Properties
light yellow, light greenish or light grey to
Uses
4-Nitrophthalonitrile is a useful chemical in organic synthesis. Dyes and metabolites.
Preparation
Synthesis of 4-Nitrophthalonitrile: SOCl2 (83.5 mL. 1.144 mol) was added dropwise under nitrogen purge to dry DMF (200 mL) which had been cooled to 0-5 °C. The solution was allowed to stir for 15 min at 0-5 °C. The 4-nitrophthalamide (60.1 g, 0.286 mol) was then added and the solution was allowed to slowly warm to room temperature and react for 18 h under nitrogen purge. The solution was then slowly added to ice water to crystallize and precipitate the product. The 4-nitrophthalonitrile was collected using vacuum filtration, washed with ice cold water, and allowed to air dry overnight; yield: 45.2 g (92%); m.p.: 141 °C (det. by DSC)
1 H NMR((CD3)2SO): 8.41 (dd, 1H), 8.67 (dd, 1H), 9.03 (dd, 1H) FTIR: 3091 (m, aromatic C-H stretch), 2242 (d, CN stretch), 1534 (s, asymmetric N=O stretch), 1349 (s, symmetric N=O stretch), 853 (s, C-N stretch)
Synthesis
4-Nitrophthalonitrile synthesized from phthalimide in three steps. The reaction time of ruthenium chloride and HZSM-5 catalysts was very shorter than ammonium molybdate and Hβ catalysts. The yield while we used ruthenium chloride and HZSM-5 catalysts were very higher than another.
In a three necked flask, 70 mL of dry dimethylformamide (DMF) was cooled to 0 °C under a stream of nitrogen and 7.3 mL of thionyl chloride was added so that the internal temperature did not go beyond 5 °C. After addition, nitrogen flow was ceased and a calcium chloride tube was added to the top of flask. Meanwhile, the color of the medium was observed to be yellow. Then, 10 g (0.048 mol) of 4- nitrophthalamide was slowly added so that the internal temperature did not go beyond 5 °C. The mixture was stirred over ice bath for 1 hour. The mixture was stirred at room temperature for 2 hours and then poured over 500 g of ice-water. The precipitate was filtered and washed successively with water, 250 mL 5% sodium hydrogencarbonate solution, and water again and dried in a vacuum oven at 110-120 °C. Molecular formula: C8H3N3O2. Yield: 7.4 g (90%). Mp: 141 °C.
4-Nitrophthalonitrile Preparation Products And Raw materials
Raw materials
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chevron_right| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
| GRINDLAYS PHARMACEUTICALS PRIVATE LIMITED | +91-91-22-25278801 +91-2225278801 | Mumbai, India | 83 | 58 | Inquiry |
| Indo Overseas | +91 9324533407 | Ahmedabad, India | 6 | 58 | Inquiry |
| SNECOFRi Pvt Ltd | +91-9032850129 +91-9032850129 | Telangana, India | 404 | 58 | Inquiry |
| LAURICE LABS | +91-9820672480 +91-9820672480 | Maharashtra, India | 40 | 58 | Inquiry |
| Adroit Pharmachem Pvt. Ltd. | +91-6358748078 +91-6358748078 | Gujarat, India | 16 | 58 | Inquiry |
| Anami Organics | +91-9662506075 +91-9825113634 | Gujarat, India | 58 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| Prism Industries Ltd | +91-9825050731 +91-9227406992 | Gujarat, India | 28 | 58 | Inquiry |
| Earthchem Laboratories P Ltd | +91-9923536956 +91-9923536947 | Maharashtra, India | 59 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| GRINDLAYS PHARMACEUTICALS PRIVATE LIMITED | 58 |
| Indo Overseas | 58 |
| SNECOFRi Pvt Ltd | 58 |
| LAURICE LABS | 58 |
| Adroit Pharmachem Pvt. Ltd. | 58 |
| Anami Organics | 58 |
| JSK Chemicals | 58 |
| Prism Industries Ltd | 58 |
| Earthchem Laboratories P Ltd | 58 |
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