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2215-76-1 molecular structure
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4-(4-formylphenoxy)benzaldehyde

ChemBase ID: 140931
Molecular Formular: C14H10O3
Molecular Mass: 226.2274
Monoisotopic Mass: 226.06299418
SMILES and InChIs

SMILES:
c1cc(ccc1C=O)Oc1ccc(cc1)C=O
Canonical SMILES:
O=Cc1ccc(cc1)Oc1ccc(cc1)C=O
InChI:
InChI=1S/C14H10O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H
InChIKey:
GXZZHLULZRMUQC-UHFFFAOYSA-N

Cite this record

CBID:140931 http://www.chembase.cn/molecule-140931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-formylphenoxy)benzaldehyde
IUPAC Traditional name
4-(4-formylphenoxy)benzaldehyde
Synonyms
4,4′-Diformyldiphenyl ether
4,4′-Oxybis(benzaldehyde)
4,4′-Oxydibenzaldehyde
Bis(4-formylphenyl) ether
4-(4-Formylphenoxy)benzaldehyde
4,4′-二甲酰二苯基醚
4,4′-氧二苯甲醛
4,4′-氧双(苯甲醛)
双(4-甲酰苯基)醚
4-(4-甲酰苯氧基)苯甲醛
CAS Number
2215-76-1
MDL Number
MFCD08276812
PubChem SID
162235168
24884523
PubChem CID
11368119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
661333 external link Add to cart Please log in.
Data Source Data ID
PubChem 11368119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8985376  LogD (pH = 7.4) 2.8985376 
Log P 2.8985376  Molar Refractivity 65.4668 cm3
Polarizability 24.438704 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-67 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-36-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H317-H319 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
96% expand Show data source
Linear Formula
O(C6H4CHO)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 661333 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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