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33252-63-0 molecular structure
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5-(trifluoromethyl)pyridin-2-ol

ChemBase ID: 6723
Molecular Formular: C6H4F3NO
Molecular Mass: 163.0972696
Monoisotopic Mass: 163.02449841
SMILES and InChIs

SMILES:
c1(cnc(cc1)O)C(F)(F)F
Canonical SMILES:
Oc1ccc(cn1)C(F)(F)F
InChI:
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey:
BYRJSCNPUHYZQE-UHFFFAOYSA-N

Cite this record

CBID:6723 http://www.chembase.cn/molecule-6723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)pyridin-2-ol
IUPAC Traditional name
5-(trifluoromethyl)pyridin-2-ol
Synonyms
2-Hydroxy-5-trifluoromethylpyridine
2-Hydroxy-5-(trifluoromethyl)pyridine
5-(Trifluoromethyl)-2-pyridinol
2-Hydroxy-5-(trifluoromethyl)pyridine
5-Trifluoromethyl-2-hydroxypyridine
5-(Trifluoromethyl)-2-pyridone
5-(Trifluoromethyl)pyridin-2-ol
5-(Trifluoromethyl)pyridin-2(1H)-one
2-Hydroxy-5-(trifluoromethyl)pyridine 97%
5-(三氟甲基)-2-吡啶醇
2-羟基-5-三氟甲基吡啶
CAS Number
33252-63-0
MDL Number
MFCD00042315
PubChem SID
24867677
160970030
PubChem CID
147443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.077415  H Acceptors
H Donor LogD (pH = 5.5) 1.9242891 
LogD (pH = 7.4) 1.9242235  Log P 1.924314 
Molar Refractivity 32.1692 cm3 Polarizability 11.453713 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145-148°C expand Show data source
145-149 °C(lit.) expand Show data source
145-149°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT, CORROSIVE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H4F3NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442801 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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