4-Nitrophthalonitrile
- Product Name4-Nitrophthalonitrile
- CAS31643-49-9
- CBNumberCB9102334
- MFC8H3N3O2
- MW173.13
- EINECS250-748-9
- MDL NumberMFCD00040301
- MOL File31643-49-9.mol
- MSDS FileSDS
Chemical Properties
| 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
| Symbol(GHS) |
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| 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 | TSCA listed | |||||||||
| 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: |
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