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;p-nitrophthalonitrile;Febuxostat Impurity 11
- CBNumber:
- CB9102334
- Molecular Formula:
- C8H3N3O2
- Molecular Weight:
- 173.13
- MDL Number:
- MFCD00040301
- MOL File:
- 31643-49-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| 4-Nitrophthalonitrile 99% | 330590 | 5g | $174 |
| 4-Nitrophthalonitrile >98.0%(GC) | N0524 | 25g | $68 |
| 4-Nitrophthalonitrile >98.0%(GC) | N0524 | 100g | $240 |
| 4-Nitrophthalonitrile 98% | N47265 | 5g | $13 |
| 4-Nitrophthalonitrile 98% | N47265 | 10g | $17 |
| More product size | |||
| 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 |
| Major Application |
diagnostic assay manufacturing hematology histology |
| InChI | InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H |
| InChIKey | NTZMSBAAHBICLE-UHFFFAOYSA-N |
| SMILES | C1(C#N)=CC=C([N+]([O-])=O)C=C1C#N |
| CAS DataBase Reference | 31643-49-9(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| EPA Substance Registry System | 1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9) |
| UNSPSC Code | 12171500 |
| NACRES | NA.47 |
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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38-20/21/22 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TI8576000 | |||||||||
| TSCA | TSCA listed | |||||||||
| REACH Registrations | Active | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| 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(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 330590 | 4-Nitrophthalonitrile 99% | 31643-49-9 | 5g | $174 | 2026-04-30 | Buy |
| TCI Chemical | N0524 | 4-Nitrophthalonitrile >98.0%(GC) | 31643-49-9 | 25g | $68 | 2026-04-30 | Buy |
| TCI Chemical | N0524 | 4-Nitrophthalonitrile >98.0%(GC) | 31643-49-9 | 100g | $240 | 2026-04-30 | Buy |
| Synthonix | N47265 | 4-Nitrophthalonitrile 98% | 31643-49-9 | 5g | $13 | 2026-05-06 | Buy |
| Synthonix | N47265 | 4-Nitrophthalonitrile 98% | 31643-49-9 | 10g | $17 | 2026-05-06 | 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.
References
[1] Acta Chemica Scandinavica, 1999, vol. 53, # 9, p. 714 - 720
[2] Materials Research Bulletin, 2016, vol. 75, p. 144 - 154
[3] Heterocycles, 1984, vol. 22, # 9, p. 2047 - 2052
[4] Patent: EP413415, 1991, A1
[5] Russian Chemical Bulletin, 2003, vol. 52, # 1, p. 150 - 153
4-Nitrophthalonitrile Preparation Products And Raw materials
Raw materials
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Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Asia Chem I and E (Jiangsu) Co Ltd | +8615105181882 | mera.z@nitrobenzenechemical.com | China | 139 | 58 |
| Chengdu Yuanda Chemical Co., Ltd | 28-85356300 +8618980937689 | sales@ydachem.com | CHINA | 94 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8618531123677 | faithe@yan-xi.com | China | 5853 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-86-13131129325 +8613131129325 | sales1@chuanghaibio.com | China | 5235 | 58 |
| Firsky International Trade (Wuhan) Co., Ltd | +8615387054039 | admin@firsky-cn.com | China | 427 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20124 | 58 |
| ShenZhen H&D Pharmaceutical Technology Co., LTD | +8618627948422 | sale@hdimpurity.com | China | 3681 | 58 |
| Hebei Zhuanglai Chemical Trading Co Ltd | +86-16264648883 | niki@zlchemi.com | China | 7245 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29640 | 60 |
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View Lastest Price from 4-Nitrophthalonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-09 | 4-Nitrophthalonitrile
31643-49-9
|
US $76.74 / Kg/Drum | 25Kg/Drum | 99.50%HPLC | 3tons/month | Asia Chem I and E (Jiangsu) Co Ltd | |
 |
2026-04-24 | 5-Nitrobenzene-1,2-dicarbonitrile
31643-49-9
|
US $148.00 / KG | 1KG | 98% | 1-20mt | Baoji Guokang Healthchem Co., Ltd. | |
 |
2026-03-12 | Febuxostat related Compound 1
31643-49-9
|
US $0.00-0.00 / mg | 10mg | 98% | 500mg | ShenZhen H&D Pharmaceutical Technology Co., LTD |
-
- 4-Nitrophthalonitrile
31643-49-9
- US $76.74 / Kg/Drum
- 99.50%HPLC
- Asia Chem I and E (Jiangsu) Co Ltd
-
- 5-Nitrobenzene-1,2-dicarbonitrile
31643-49-9
- US $148.00 / KG
- 98%
- Baoji Guokang Healthchem Co., Ltd.
-
- Febuxostat related Compound 1
31643-49-9
- US $0.00-0.00 / mg
- 98%
- ShenZhen H&D Pharmaceutical Technology Co., LTD
31643-49-9(4-Nitrophthalonitrile)Related Search:
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