A6258512
4-Nitrophenyl isothiocyanate , ≥98.0%(GC) , 2131-61-5
CAS NO.：2131-61-5
Empirical Formula: C7H4N2O2S
Molecular Weight: 180.18
MDL number: MFCD00007307
EINECS: 218-359-9
| Pack Size | Price | Stock | Quantity |
| 5G | RMB134.40 | In Stock |
|
| 25G | RMB439.20 | In Stock |
|
| 100G | RMB1583.20 | In Stock |
|
| 250g | RMB3858.40 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 110-112 °C(lit.) |
| Boiling point: | 137-138 °C11 mm Hg(lit.) |
| Density | 1.4360 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| Flash point: | 137-138°C/11mm |
| storage temp. | Store at <= 20°C. |
| solubility | Very slightly soluble in alcohol and oils. |
| form | powder to crystal |
| color | Light orange to Yellow to Green |
| Odor | Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine. |
| Water Solubility | It hydrolyzes with water. Soluble in toluene. |
| Sensitive | Moisture Sensitive |
| BRN | 640027 |
| InChI | 1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H |
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)N=C=S |
| CAS DataBase Reference | 2131-61-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |
Description and Uses
4-Nitrophenyl isothiocyanate has been used in the synthesis of:
- 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one
- 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides
- acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives
Safety
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H315-H317-H319-H334-H335 |
| Precautionary statements | P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-42 |
| Safety Statements | 22-26-36 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| F | 10-21 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
