3-Chloropropyl isocyanate
ALDRICH/282405 - 96%
CAS Number: 13010-19-0
Empirical Formula (Hill Notation): C4H6ClNO
Molecular Weight: 119.55
MDL Number: MFCD00010384
Linear Formula: Cl(CH2)3NCO
Product Type: Chemical
| assay | 96% |
| bp | 152-154 °C (lit.) |
| density | 1.165 g/mL at 25 °C (lit.) |
| InChI | 1S/C4H6ClNO/c5-2-1-3-6-4- |
| InChI key | RQAVSDINDRNIKL-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | ClCCCN=C=O |
| Application: | 3-Chloropropyl isocyanate has been used in the preparation of: • 9,10-dimethoxy- and 9,10-diethoxy-5H-2,3,7,8,12b,13-hexahydro • 11,12-dimethoxy- and 11,12-diethoxy-2H,6H-3,4,8,9,13b,14-hexahydropyrimido[1′,2′ • N-[N′-(3-chloropropyl)-N′-nitrosocarbamoyl]-L-proline • 1,3-oxazino[2,3-b]quinazolines via coupling with anthranilamide |
| Packaging: | 5 g in glass bottle |
| Symbol |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H317 - H319 - H334 - H335 |
| Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37 |
| Safety Statements | 23-26-27-28-36/37/39 |
| RIDADR | UN 2206PSN1B 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 143.6 °F - closed cup |
| Flash Point(C) | 62 °C - closed cup |
| Purity | 96% |
| bp | 152-154 °C (lit.) |
| Density | 1.165 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |