p-Nitrophenylacetonitrile
- Product Namep-Nitrophenylacetonitrile
- CAS555-21-5
- CBNumberCB5128086
- MFC8H6N2O2
- MW162.15
- EINECS209-085-0
- MDL NumberMFCD00007372
- MOL File555-21-5.mol
Chemical Properties
| Melting point: | 113-115 °C(lit.) |
| Boiling point: | 195-197 °C (12.0016 mmHg) |
| Density | 1.3264 (rough estimate) |
| refractive index | 1.5770 (estimate) |
| storage temp. | Store below +30°C. |
| solubility | Solubility Insoluble in water, soluble in ethanol, ether |
| form | Crystalline Powder |
| color | Cream to yellow |
| PH Range | Yellow (11.4) to Orange-red (12.9) |
| Water Solubility | INSOLUBLE |
| Merck | 14,6590 |
| BRN | 388442 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Major Application | Recording materials, photography, forge-proof security paper |
| InChI | 1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2 |
| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(CC#N)cc1 |
| CAS DataBase Reference | 555-21-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetonitrile, 4-nitro-(555-21-5) |
| EPA Substance Registry System | Benzeneacetonitrile, 4-nitro- (555-21-5) |
Safety
| Symbol(GHS) |
  GHS06,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H301+H311+H331-H315-H319-H302-H312-H332 | |||||||||
| Precautionary statements | P280h-P309-P310-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 14-22-36/37-36-26-24/25 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | AM1250000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269095 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | LD50 ivn-mus: 32 mg/kg CSLNX* NX#02093 | |||||||||
| NFPA 704: |
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