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) |