3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-methoxybenzaldehyde
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Basic information
- CAS
438532-81-1- Standard SMILES
COc1ccc(C=O)cc1COc1cc(C)c(Cl)c(C)c1- InChIKey
BQOGYXQCGXWJNJ-UHFFFAOYSA-N- Molecular formula
- C17H17ClO3
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0866221
Names & identifiers
- Preferred name
- 3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxybenzaldehyde
- English name
- 3-(4-CHLORO-3,5-DIMETHYL-PHENOXYMETHYL)-4-METHOXY-BENZALDEHYDE
- Molecular formula
- C17H17ClO3
- Molecular weight
- 304.77
Names & synonyms
3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-methoxybenzaldehyde438532-81-13-((4-Chloro-3,5-dimethylphenoxy)methyl)-4-methoxybenzaldehydeRefChem:272963MFCD020565443-(4-Chloro-3,5-dimethyl-phenoxymethyl)-4-methoxy-benzaldehydeBQOGYXQCGXWJNJ-UHFFFAOYSA-N3-(4-chloro-3,5-dimethylphenoxymethyl)-4-methoxybenzaldehydeOprea1_788652DTXSID101176811ALBB-001095BBL016113
Show more names
ZERO/004759AKOS B000390ZINC00037141AK-968/41018741TIMTEC-BB SBB001253ART-CHEM-BB B000390Benzaldehyde, 3-(4-chloro-3,5-dimethylphenoxymethyl)-4-methoxy-
SBB001253STK348674AKOS000304089ST033147VS-05147CS-0215162EN300-227640H21246
Database identifiers
- CAS
438532-81-1- PubChem CID
- 590879
- DTXSID
DTXSID101176811
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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