HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-(chloromethyl)pyridine-3-carboxylate
Methyl 2-(chloromethyl)nicotinate · 2-Chloromethyl-nicotinic acid methyl ester · Methyl 2-(chloromethyl)nicotinate - [M70459] · methyl 2-(chloromethyl)pyridine-3-carboxylate · METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH · 2-ChloroMethyl-Pyridine-3-Carboxylic Acid Methyl Ester · 3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl ester
Identifiers & Physical Properties
| CAS No. | 177785-14-7 |
|---|---|
| Molecular formula | C8H8ClNO2 |
| Average molar mass | 185.61 g/mol |
| Monoisotopic mass | 185.02435618 g/mol |
| SMILES | COC(=O)c1cccnc1CCl |
| InChIKey | AMIVNKVBDFJAFD-UHFFFAOYSA-N |
| PubChem CID | 19081344 |
| EC No. | 862-201-7 |
| DTXSID | DTXSID00597889 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 39.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 163 |
| Boiling point | 279.4±30.0 °C(Predicted) |
| Density | 1.252±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 1.67±0.22(Predicted) |
| Appearance | Colorless to off-white Solid-liquid mixture |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H314 |
| GHS precautionary statements | P261-P280-P305+P351+P338-P310 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| GHS hazard statements | H302-H314 |
| GHS precautionary statements | P261-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
Methyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.