Basic information
- CAS
438220-35-0- Standard SMILES
O=Cc1ccc(COc2ccccc2Cl)o1- InChIKey
CKWUGYZFDKUGMW-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3
- Average molar mass
- 236.65 g/mol
Names & identifiers
- Preferred name
- 5-[(2-Chlorophenoxy)methyl]-2-furaldehyde
- IUPAC
- 5-[(2-chlorophenoxy)methyl]furan-2-carbaldehyde
- English name
- 5-(2-Chloro-phenoxymethyl)-furan-2-carbaldehyde
- Molecular formula
- C12H9ClO3
- Molecular weight
- 236.65
Names & synonyms
5-[(2-chlorophenoxy)methyl]-2-furaldehyde438220-35-05-[(2-chlorophenoxy)methyl]furan-2-carbaldehyde5-(2-Chloro-phenoxymethyl)-furan-2-carbaldehyde5-(2-chlorophenoxymethyl)furan-2-carbaldehyde5-((2-Chlorophenoxy)methyl)furan-2-carbaldehydeMFCD03074518Oprea1_259783ALBB-001130SBB020254STK301712AKOS000308019
Show more names
ZINC02505996AKOS B006548ART-CHEM-BB B0065485-[(2-chlorophenoxy)methyl]furfural5-[(2-chlorophenoxy)methyl]-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-[(2-chlorophenoxy)methyl]-
LS-01119CS-0309073ST45061507EN300-155256H21272AK-968/41170388Z275128224
Database identifiers
- CAS
438220-35-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 379.1 · 379.1±37.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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