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72768-94-6 molecular structure
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[2-(difluoromethoxy)phenyl]methanol

ChemBase ID: 9621
Molecular Formular: C8H8F2O2
Molecular Mass: 174.1447264
Monoisotopic Mass: 174.04923594
SMILES and InChIs

SMILES:
c1ccc(c(c1)CO)OC(F)F
Canonical SMILES:
OCc1ccccc1OC(F)F
InChI:
InChI=1S/C8H8F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8,11H,5H2
InChIKey:
JJAUYEZYAXAERE-UHFFFAOYSA-N

Cite this record

CBID:9621 http://www.chembase.cn/molecule-9621.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(difluoromethoxy)phenyl]methanol
IUPAC Traditional name
[2-(difluoromethoxy)phenyl]methanol
Synonyms
2-(Difluoromethoxy)benzyl alcohol
alpha,alpha-Difluoro-2-(hydroxymethyl)anisole, [2-(Difluoromethoxy)phenyl]methanol
2-(Difluoromethoxy)benzyl alcohol 98%
2-(Difluoromethoxy)benzyl alcohol
2-(二氟甲氧基)苯甲醇
CAS Number
72768-94-6
MDL Number
MFCD00236226
PubChem SID
160972928
PubChem CID
2736992

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.6682825  H Acceptors
H Donor LogD (pH = 5.5) 1.974983 
LogD (pH = 7.4) 1.974983  Log P 1.974983 
Molar Refractivity 39.346 cm3 Polarizability 14.872939 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant 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
97+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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