Methyl 2-isocyanatobenzoate
ALDRICH/439983 - 97%
CAS Number: 1793-07-3
Empirical Formula (Hill Notation): C9H7NO3
Molecular Weight: 177.16
MDL Number: MFCD00013848
Linear Formula: OCNC6H4CO2CH3
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: 439983-5G
| assay | 97% |
| bp | 101 °C/2 mmHg (lit.) |
| form | solid |
| functional group | ester |
| isocyanate | |
| InChI | 1S/C9H7NO3/c1-13-9(12)7-4 |
| InChI key | ATFKBWNEVZUSKC-UHFFFAOYSA |
| mp | 45-49 °C (lit.) |
| Quality Level | 100  |
| SMILES string | COC(=O)c1ccccc1N=C=O |
| Application: | Methyl 2-isocyanatobenzoate may be used for the following syntheses: • 3H-quinazolin-4-ones • A1120, a high affinity (Ki = 8.3nM) non-retinoid ligand for the Retinol-binding protein • trans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylur |
| 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 | 26-27-37/39 |
| RIDADR | UN 3335 |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 97% |
| bp | 101 °C/2 mmHg (lit.) |
| mp | 45-49 °C (lit.) |
| UNSPSC | 12352100 |