HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 5-(chloromethyl)-2-furancarboxylate
ethyl 5-(chloroMethyl)furan-2-carboxylate · NSC 97518 · BUTTPARK 96\50-29 · ETHYL 5-(CHLOROMETHYL)-2-FUROATE · Ethyl 5-(chloromethyl)-2-furoate 95+% · Ethyl 5-(chloromethyl)-2-furancarboxy · Ethyl 5-(chloromethyl)-2-furoate, GC 95% · Ethyl 5-(chloromethyl)-2-furancarboxylate
Identifiers & Physical Properties
| CAS No. | 2528-00-9 |
|---|---|
| Molecular formula | C8H9ClO3 |
| Average molar mass | 188.61 g/mol |
| Monoisotopic mass | 188.02402183 g/mol |
| SMILES | CCOC(=O)c1ccc(CCl)o1 |
| InChIKey | JBACYJRMCXLIQU-UHFFFAOYSA-N |
| PubChem CID | 263166 |
| EC No. | 671-714-3 |
| DTXSID | DTXSID90294638 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 160 |
| Boiling point | 115 °C0.015 mm Hg(lit.) |
| Density | 1.225 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.511(lit.) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | Liquid |
| Specific gravity | 1.225 |
| Color | Clear yellow |
| InChI | 1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3 |
| InChIKey | JBACYJRMCXLIQU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(CCl)o1 |
| CAS DataBase Reference | 2528-00-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 38 |
| Safety statements (S) | 37 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 29321900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Risk statements (R) | 38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 37 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
Ethyl 5-(chloromethyl)-2-furancarboxylate may be employed for the synthesis of a series of novel sulfamide- and urea-based small-molecule antagonists of the protein-protein interaction IL-2/IL-2Rα. It may be employed as starting material for the synthesis of 5-hydroxymethylfuran-2-carboxylic acid.