5-Chloromethylfurfural
Basic information
- CAS
1623-88-7- Standard SMILES
O=Cc1ccc(CCl)o1- InChIKey
KAZRCBVXUOCTIO-UHFFFAOYSA-N- Molecular formula
- C6H5ClO2
- Average molar mass
- 144.55 g/mol
- Monoisotopic mass
- 143.99780708
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Chloromethylfurfural
- IUPAC
- 5-(chloromethyl)furan-2-carbaldehyde
- English name
- 5-Chloromethylfurfural
- Molecular formula
- C6H5ClO2
- Molecular weight
- 144.56
Names & synonyms
1623-88-75-Chloromethylfurfural5-(Chloromethyl)-2-furaldehyde5-(Chloromethyl)furfural2-Furancarboxaldehyde, 5-(chloromethyl)-5-(Chloromethyl)-2-furfural5-(Chloromethyl)-2-furancarboxaldehydeMXU4UQA8XGEINECS 216-608-65-Chloromethylfuran-2-carbaldehydeDTXSID70167351RefChem:534973
Show more names
2-[5-(chloromethyl)-2-furanyl]acetaldehyde
DTXCID60898425-(chloromethyl)furan-2-carbaldehydeCCRIS 7508MFCD021810845-Chloromethyl furfural2-Formyl-5-chloromethylfuran5-(Chloromethyl)furfuraldehyde5 -chloromethylfurfural
Database identifiers
- CAS
1623-88-7- PubChem CID
- 74191
- DTXSID
DTXSID70167351- UNII
- MXU4UQA8XG
- EC Number
- 216-608-6
- Nikkaji
- J37.048G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 37 °C · 37 °C
- Boiling point
- 137 · 137-138 °C(Press: 5 Torr)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- 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
- 4 UQA8XG · MXU4UQA8XG
- EPA Substance Registry System
- 2 · 2-Furancarboxyaldehyde, 5-(chloromethyl)- (1623-88-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (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 information
Hazard Classes and CategoriesFlam. Liq. 4 (75%)
Safety data
- hs_code
- 2932190090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Applications
Uses5-(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 Description5-(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).
Upstream & downstream products
Downstream products
Related reactions
19 records
Compound notes
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