HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Chloromethylfurfural
2-Furancarboxaldehyde, 5-(chloromethyl)- · 5-(CHLOROMETHYL)FURFURAL · 5-(ChloroMethyl)-2-furfural · 2-ForMyl-5-chloroMethylfuran · 5-(ChloroMethyl)furfuraldehyde · 5-(chloromethyl)-2-furaldehyde · 5-(Chloromethyl)furan-2-carbaldehyde · 2-[5-(chloromethyl)-2-furanyl]acetaldehyde
Identifiers & Physical Properties
| CAS No. | 1623-88-7 |
|---|---|
| Molecular formula | C6H5ClO2 |
| Average molar mass | 144.55 g/mol |
| Monoisotopic mass | 143.99780708 g/mol |
| SMILES | O=Cc1ccc(CCl)o1 |
| InChIKey | KAZRCBVXUOCTIO-UHFFFAOYSA-N |
| PubChem CID | 74191 |
| EC No. | 216-608-6 |
| DTXSID | DTXSID70167351 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 105 |
| Melting point | 37 °C |
| Boiling point | 137-138 °C(Press: 5 Torr) |
| Density | 1.295±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Store in freezer, under -20°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Physical state | Dark Brown to Black Oil to Semi-Solid |
| Stability | Moisture Sensitive |
| InChI | InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2 |
| InChIKey | KAZRCBVXUOCTIO-UHFFFAOYSA-N |
| SMILES | O1C(CCl)=CC=C1C=O |
| FDA UNII | MXU4UQA8XG |
| EPA Substance Registry System | 2-Furancarboxyaldehyde, 5-(chloromethyl)- (1623-88-7) |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 |
| Customs code | 2932190090 |
Safety & Regulations
| GHS classification | DangerH227 (75%): Combustible liquid [Warning Flammable liquids]P203, P210, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (75%) |
| Customs code | 2932190090 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 |
Applications & Uses
Uses
5-(Chloromethyl)furfural is a lipid oxidation product derived from soybean phospholipids. It is a biofuel precursor in the co-processing of carbohydrates and lipids in oil crops for production of hybrid biodiesel.
General Description
5-(Chloromethyl) Furfural (CMF) is a potential chemical building block for replacing petroleum-derived chemicals derived from lignocellulosic feedstocks. It is gaining traction as a more practical alternative to 5-(hydroxymethyl)furfural (HMF).