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192702-79-7 molecular structure
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(3-fluoro-4-methylphenyl)methanol

ChemBase ID: 7519
Molecular Formular: C8H9FO
Molecular Mass: 140.1548632
Monoisotopic Mass: 140.06374313
SMILES and InChIs

SMILES:
c1c(c(cc(c1)CO)F)C
Canonical SMILES:
OCc1ccc(c(c1)F)C
InChI:
InChI=1S/C8H9FO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKey:
UUVJAGTYIVYFOS-UHFFFAOYSA-N

Cite this record

CBID:7519 http://www.chembase.cn/molecule-7519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluoro-4-methylphenyl)methanol
IUPAC Traditional name
(3-fluoro-4-methylphenyl)methanol
Synonyms
3-Fluoro-4-methylbenzyl alcohol
3-Fluoro-4-methylbenzyl alcohol
3-氟-4-甲基苯甲醇
CAS Number
192702-79-7
EC Number
000-000-0
MDL Number
MFCD01631533
Beilstein Number
7700178
PubChem SID
160970826
PubChem CID
2774590

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774590 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.905491  H Acceptors
H Donor LogD (pH = 5.5) 1.8620194 
LogD (pH = 7.4) 1.8620194  Log P 1.8620194 
Molar Refractivity 38.1315 cm3 Polarizability 14.21552 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
33-36°C expand Show data source
33-36°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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