4-[(3-Chlorobenzyl)oxy]-3-methoxybenzaldehyde
Basic information
- CAS
588678-16-4- Standard SMILES
COc1cc(C=O)ccc1OCc1cccc(Cl)c1- InChIKey
ZKWDJZYQDNHQDH-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 4-[(3-Chlorobenzyl)oxy]-3-methoxybenzaldehyde
- IUPAC
- 4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde
- English name
- 4-[(3-Chlorobenzyl)oxy]-3-methoxybenzaldehyde
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
4-[(3-chlorobenzyl)oxy]-3-methoxybenzaldehyde588678-16-44-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde4-((3-chlorobenzyl)oxy)-3-methoxybenzaldehydeMFCD02255723Oprea1_874421SCHEMBL28662837DTXSID60352774ALBB-001345BBL014003SBB016345STK411655
Show more names
ZINC00151802ASISCHEM U92746CHEMBRDG-BB 3003560OTAVA-BB BB7018801970Benzaldehyde, 4-[(3-chlorophenyl)methoxy]-3-methoxy-4-[(3-chlorobenzyl)oxy]-3-methoxybenzaldehyde(SALTDATA: FREE)
AKOS000201935VS-04101DB-027860CS-0245287ST50208679EN300-302731H21420F307360
Database identifiers
- CAS
588678-16-4- PubChem CID
- 735459
- DTXSID
DTXSID60352774
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- 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
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P363-P501
Suppliers
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Related reactions
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Compound notes
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