5-(Chloromethyl)-2-furaldehyde (CED0049854)

Record Information
Version1.0
Creation Date2026-04-03 15:32:07 UTC
Update Date2026-08-23 11:17:46 UTC
SynCED IDCED0049854
Secondary Accession Numbers
  • CHEM065517
Identification
Common Name5-(Chloromethyl)-2-furaldehyde
ClassSmall Molecule
Description
5-(Chloromethyl)-2-furaldehyde belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C6H5Cl1O2 and an average molecular weight of 144.55 g/mol. This substance is further classified as an organic oxygen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H5Cl1O2
Average Molecular Mass144.550 g/mol
Monoisotopic Mass143.998 g/mol
CAS Registry Number1623-88-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESClCC1=CC=C(O1)C=O
InChI IdentifierInChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChI KeyKAZRCBVXUOCTIO-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
544.0 Log mg/kg [310:970]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
breast cancerNot AvailableNot AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC3397678
colorectal carcinomaNot AvailableNot AvailableNot AvailablePMC6877713
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs00786Corn StoverAgriculture & land managementPMC12536473
CEDs00871High Fructose Corn SyrupAgriculture & land managementPMC11209912
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.342
Statistical Significance
0.0092
Supporting Reference Compounds
31
E-value
71.6213
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.342
Statistical Significance
0.8097
Supporting Reference Compounds
1245
E-value
6303.14
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.342
Statistical Significance
0.7897
Supporting Reference Compounds
825
E-value
6147.99
Click to view 3D structureProline racemaseQ9L4Q3Clostridium sticklandiiPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.212 Low confidence
Statistical Significance
3.80e-04
Supporting Reference Compounds
1
E-value
2.95827
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.342
Statistical Significance
0.9185
Supporting Reference Compounds
1538
E-value
7150.22
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0439
Supporting Reference Compounds
68
E-value
341.68
Cell division protein FtsZ structureClick to view 3D structureCell division protein FtsZP17865Bacillus subtilis (strain 168)Predicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.008
Supporting Reference Compounds
1
E-value
62.5908
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.236 Low confidence
Statistical Significance
0.5246
Supporting Reference Compounds
343
E-value
4083.66
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.236 Low confidence
Statistical Significance
0.232
Supporting Reference Compounds
108
E-value
1805.79
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.216 Low confidence
Statistical Significance
0.6365
Supporting Reference Compounds
150
E-value
4954.87
Dual specificity protein phosphatase 26 structureClick to view 3D structureDual specificity protein phosphatase 26Q9BV47HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.186 Low confidence
Statistical Significance
0.0096
Supporting Reference Compounds
1
E-value
74.4239
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)
Prediction Confidence Score
0.181
Applicability Domain
0.203 Low confidence
Statistical Significance
0.5179
Supporting Reference Compounds
128
E-value
4032.12
L-lactate dehydrogenase A chain structureClick to view 3D structureL-lactate dehydrogenase A chainP00338HumansPredicted (SEA)
Prediction Confidence Score
0.181
Applicability Domain
0.341
Statistical Significance
0.0725
Supporting Reference Compounds
26
E-value
564.173
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.191 Low confidence
Statistical Significance
0.9759
Supporting Reference Compounds
1130
E-value
7597.23
Protein phosphatase EYA2 structureClick to view 3D structureProtein phosphatase EYA2O00167HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0284
Supporting Reference Compounds
1
E-value
221.325
Click to view 3D structure2-Hydroxyacid oxidase 1Q9WU19Mus musculusPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.341
Statistical Significance
0.0124
Supporting Reference Compounds
7
E-value
96.2216
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.178 Low confidence
Statistical Significance
0.0141
Supporting Reference Compounds
1
E-value
109.456
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.188 Low confidence
Statistical Significance
0.8565
Supporting Reference Compounds
425
E-value
6667.71
Tyrosine-protein phosphatase non-receptor type 22 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 22Q9Y2R2HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.186 Low confidence
Statistical Significance
0.421
Supporting Reference Compounds
78
E-value
3277.84
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.203 Low confidence
Statistical Significance
0.7462
Supporting Reference Compounds
174
E-value
5809.5
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.196 Low confidence
Statistical Significance
0.651
Supporting Reference Compounds
147
E-value
5068.14
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.205 Low confidence
Statistical Significance
0.7328
Supporting Reference Compounds
125
E-value
5705.1
26S proteasome non-ATPase regulatory subunit 14 structureClick to view 3D structure26S proteasome non-ATPase regulatory subunit 14O00487HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.182 Low confidence
Statistical Significance
0.3006
Supporting Reference Compounds
39
E-value
2339.91
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.19 Low confidence
Statistical Significance
0.9156
Supporting Reference Compounds
406
E-value
7127.64
DNA (cytosine-5)-methyltransferase 1 structureClick to view 3D structureDNA (cytosine-5)-methyltransferase 1P26358HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.182 Low confidence
Statistical Significance
0.6948
Supporting Reference Compounds
116
E-value
5409.2
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available