3-Nitrophthalonitrile CAS 51762-67-5
Introduction：Basic information about 3-Nitrophthalonitrile CAS 51762-67-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Nitrophthalonitrile Basic information
| Product Name: | 3-Nitrophthalonitrile |
| Synonyms: | 2,3-DICYANONITROBENZENE;1,2-DICYANO-3-NITROBENZENE;3-NITRO-PHTHALODINITRILE;3-NITROPHTHALONITRILE;3-nitro-1,2-benzenedicarbonitrile;3-nitro-2-benzenedicarbonitrile;3-NITROPHTHALONITRILE 98+%;2,3-Dicyano-1-nitrobenzene |
| CAS: | 51762-67-5 |
| MF: | C8H3N3O2 |
| MW: | 173.13 |
| EINECS: | 450-650-8 |
| Product Categories: | Aromatic Nitriles;Benzene derivates;Functional Materials;Phthalonitriles & Naphthalonitriles;Phthalonitriles (Building Blocks for Phthalocyanines);N;Stains and Dyes;Stains&Dyes, A to;john's |
| Mol File: | 51762-67-5.mol |
3-Nitrophthalonitrile Chemical Properties
| Melting point | 162-165 °C (lit.) |
| Boiling point | 386.1±37.0 °C(Predicted) |
| density | 1.41±0.1 g/cm3(Predicted) |
| vapor pressure | 0Pa at 20-25℃ |
| storage temp. | room temp |
| form | Powder |
| color | White to Light yellow to Green |
| Water Solubility | Soluble in methanol. Insoluble in water. |
| BRN | 2263686 |
| Major Application | diagnostic assay manufacturing hematology histology |
| InChI | InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H |
| InChIKey | UZJZIZFCQFZDHP-UHFFFAOYSA-N |
| SMILES | C1(C#N)=CC=CC([N+]([O-])=O)=C1C#N |
| LogP | 0.3 at 25℃ |
| Surface tension | 70.3mN/m at 212.5mg/L and 25℃ |
| CAS DataBase Reference | 51762-67-5(CAS DataBase Reference) |
| EPA Substance Registry System | 1,2-Benzenedicarbonitrile, 3-nitro- (51762-67-5) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 26-36-45-37/39 |
| WGK Germany | 3 |
| RTECS | CZ1953200 |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | light yellow powder |
| Uses | 3-Nitrophthalonitrile can be used in solar cells. Dyes and metabolites. |
| Application | 3-Nitrophthalonitrile belongs to nitrile derivatives and can be used as pesticide and pharmaceutical intermediates. It is an important intermediate for the synthesis of nitrophthalocyanine, nitrometallophthalocyanine or other phthalocyanine derivatives. |
| Preparation | The synthesis of 3-nitrophthalonitrile started with the nitration in position 3 of phthalimide followed by the formation of 3-nitrophthalamide; then dehydration by the thionyl chloride in N, N-dimethylformamide leads to 3-nitrophthalonitrile. Synthesis of 3-Nitrophthalonitrile |
| Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 32, p. 495, 1995 DOI: 10.1002/jhet.5570320219 |
3-Nitrophthalonitrile Preparation Products And Raw materials
| Raw materials | 1,2-BENZENEDICARBONYL DICHLORIDE,3-NITRO--->3-Nitrophthalamide-->3-Nitrophthalic acid-->PHOSGENE |
| Preparation Products | 4-Nitrophthalonitrile-->3-aMinophthalonitrile-->cobalt(II) 1,8,15,22-tetra(amino)phthalocyanine |
