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19434-34-5 molecular structure
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2-phenoxybenzaldehyde

ChemBase ID: 31610
Molecular Formular: C13H10O2
Molecular Mass: 198.2173
Monoisotopic Mass: 198.06807956
SMILES and InChIs

SMILES:
c1(c(C=O)cccc1)Oc1ccccc1
Canonical SMILES:
O=Cc1ccccc1Oc1ccccc1
InChI:
InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
InChIKey:
IMPIIVKYTNMBCD-UHFFFAOYSA-N

Cite this record

CBID:31610 http://www.chembase.cn/molecule-31610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenoxybenzaldehyde
IUPAC Traditional name
2-phenoxybenzaldehyde
Synonyms
2-Phenoxybenzenecarbaldehyde
2-phenoxybenzaldehyde
2-Phenoxybenzaldehyde
2-Formyldiphenyl ether
2-Phenoxybenzaldehyde 97%
2-苯氧基苯甲醛
CAS Number
19434-34-5
EC Number
243-061-0
MDL Number
MFCD00800666
PubChem SID
160994917
PubChem CID
88060

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1860354  LogD (pH = 7.4) 3.1860354 
Log P 3.1860354  Molar Refractivity 58.8828 cm3
Polarizability 22.561357 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)
Boiling Point
114 °C @ 0.1mm Hg expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Toxic/Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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