4-(Chloromethyl)phenyl isocyanate
ALDRICH/375047 - 97%
CAS Number: 29173-65-7
Empirical Formula (Hill Notation): C8H6ClNO
Molecular Weight: 167.59
MDL Number: MFCD00134403
Linear Formula: ClCH2C6H4NCO
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: 375047-5G
| assay | 97% |
| density | 1.216 g/mL at 25 °C (lit.) |
| form | solid |
| InChI | 1S/C8H6ClNO/c9-5-7-1-3-8( |
| InChI key | OBYMZHLTKVXPQF-UHFFFAOYSA |
| mp | 32-33 °C (lit.) |
| SMILES string | ClCc1ccc(cc1)N=C=O |
| storage temp. | 2-8°C |
| Application: | 4-(Chloromethyl)phenyl isocyanate may be used in the synthesis of series of carbamate derivatives of Hoechst 33258, potential anticancer agents. |
| General description: | 4-(Chloromethyl)phenyl isocyanate is an aryl isocyanate. It is reported to participate in the anomeric O-acylation of Kdo. |
| Packaging: | 5 g in glass bottle |
| Symbol |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335 |
| Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 7-26-27-37/39 |
| RIDADR | UN 3335 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | 97% |
| mp | 32-33 °C (lit.) |
| Density | 1.216 g/mL at 25 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |