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70627-17-7 molecular structure
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4-[(2,4-dichlorophenyl)methoxy]benzaldehyde

ChemBase ID: 26156
Molecular Formular: C14H10Cl2O2
Molecular Mass: 281.134
Monoisotopic Mass: 280.00578492
SMILES and InChIs

SMILES:
c1(c(COc2ccc(C=O)cc2)ccc(c1)Cl)Cl
Canonical SMILES:
O=Cc1ccc(cc1)OCc1ccc(cc1Cl)Cl
InChI:
InChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
InChIKey:
MCFMTPMHCQCPNT-UHFFFAOYSA-N

Cite this record

CBID:26156 http://www.chembase.cn/molecule-26156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
IUPAC Traditional name
4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
Synonyms
4-((2,4-dichlorobenzyl)oxy)benzaldehyde
4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde
4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
4-[(2,4-Dichlorobenzyl)oxy]benzenecarbaldehyde
CAS Number
70627-17-7
MDL Number
MFCD00610864
PubChem SID
160989463
PubChem CID
735453

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4606395  LogD (pH = 7.4) 4.4606395 
Log P 4.4606395  Molar Refractivity 73.3274 cm3
Polarizability 28.083803 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102 - 104 °C expand Show data source
Hydrophobicity(logP)
4.973 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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