Isopropyl isothiocyanate
ALDRICH/476013 - 97%
Synonym: Isopropyl mustard oil
CAS Number: 2253-73-8
Empirical Formula (Hill Notation): C4H7NS
Molecular Weight: 101.17
EC Number: 218-851-3
MDL Number: MFCD00037830
Linear Formula: (CH3)2CHNCS
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 476013-5ML.
| assay | 97% |
| bp | 29-30 °C/10 mmHg (lit.) |
| density | 0.948 g/mL at 25 °C (lit.) |
| functional group | amine |
| isothiocyanate | |
| InChI | 1S/C4H7NS/c1-4(2)5-3-6/h4 |
| InChI key | VHBFEIBMZHEWSX-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CC(C)N=C=S |
| Application: | Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-is |
| General description: | Isopropyl isothiocyanate is an isothiocyanate derivative. It has been identified as one of the volatile components in the following: • seed kernel and leaf of Moringa peregrina (Forssk.) Fiori, Agricolt1 • essential oil isolated from Upland Wasabi • hydrodistillates of hedge mustard (Sysimbrium officinale) Molecular conformations of isopropyl isothiocyanate in gas phase have been determined by electron diffraction studies. It has been synthesized by employing isopropyl amine as a starting reagent. |
| Packaging: | 5, 25 mL in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 104.0 °F - closed cup |
| Flash Point(C) | 40 °C - closed cup |
| Purity | 97% |
| bp | 29-30 °C/10 mmHg (lit.) |
| Density | 0.948 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |