| Name | 4-nitrobenzyl-isothiocyanate |
| Synonyms | 4-Nitrobenzyl thiocyanate 4-nitrophenyl isothiocyanate 4-nitrobenzyl-isothiocyanate 1-isothiocyanato-4-nitrobenzene Benzene, 1-isothiocyanato-4-nitro- 1-(isothiocyanatomethyl)-4-nitrobenzene |
| CAS | 2131-61-5 |
| EINECS | 218-359-9 |
| InChI | InChI=1/C8H6N2O2S/c11-10(12)8-3-1-7(2-4-8)5-9-6-13/h1-4H,5H2 |
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2S |
| Molar Mass | 194.21 |
| Density | 1.281g/cm3 |
| Melting Point | 110-112 °C(lit.) |
| Boling Point | 353.678°C at 760 mmHg |
| Flash Point | 167.699°C |
| Water Solubility | It hydrolyzes with water. Soluble in toluene. |
| Vapor Presure | 0mmHg at 25°C |
| Storage Condition | Store at <= 20°C. |
| Refractive Index | 1.615 |
| Hazard Symbols | Xn - Harmful![]() |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation |
| Safety Description | S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 2811 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | Yes |
| HS Code | 29309090 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Downstream Products | 1,4-PHENYLENE DIISOTHIOCYANATE |
| sensitivity | Moisture Sensitive |
| BRN | 640027 |
| EPA chemical information | Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |