2-Hydroxy-5-(trifluoromethyl)pyridine
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Basic information
- CAS
33252-63-0- Standard SMILES
O=c1ccc(C(F)(F)F)c[nH]1- InChIKey
BYRJSCNPUHYZQE-UHFFFAOYSA-N- Molecular formula
- C6H4F3NO
- Average molar mass
- 163.1 g/mol
- Monoisotopic mass
- 163.02449841
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(trifluoromethyl)pyridine
- IUPAC
- 5-(trifluoromethyl)-1H-pyridin-2-one
- English name
- 2-Hydroxy-5-trifluoromethylpyridine
- Molecular formula
- C6H4F3NO
- Molecular weight
- 163.1
Names & synonyms
33252-63-02-Hydroxy-5-(trifluoromethyl)pyridine2(1H)-Pyridinone, 5-(trifluoromethyl)-1CCP81H07BRefChem:473259627-625-75-(trifluoromethyl)pyridin-2-ol2-Hydroxy-5-trifluoromethylpyridine5-(trifluoromethyl)-1H-pyridin-2-oneMFCD000423155-(Trifluoromethyl)-2-pyridinol5-(Trifluoromethyl)-2-pyridone
Show more names
2-Hydroxy-5-(tBUTTPARK 24\01-67Fampridine Impurity 2165-Trifluoromethyl-Pyridin-2-Hydroxy-5-(trifluoroMethyl)pyr5-(Trifluoromethyl)-2-pyridinone
5-(trifluoromethyl)-1,2-dihydropyridin-2-one5-(Trifluoromethyl)-2(1H)-pyridinone5-(Trifluoromethyl)pyridin-2(1H)-one5-trifluoromethyl-pyridin-2-ol79894-13-65-(trifluoromethyl)pyridin-2-one5-trifluoromethyl-2(1h)-pyridone5-(trifluoromethyl)-2-(1H)-pyridone
Database identifiers
- CAS
33252-63-0- PubChem CID
- 147443
- DTXSID
DTXSID8044387- ChEMBL
CHEMBL5424775- UNII
- 1CCP81H07B
- EC Number
- 627-625-7
- Nikkaji
- J1.248.517D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 145 · 145-149 °C (lit.)
- Boiling point
- 221.2 · 221.2±40.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Soluble), Ethanol (Sparingly), Methanol (Sightly)
- pka
- 9.55 · 9.55±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- 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
- SMILES
- C1(=O)NC=C(C(F)(F)F)C=C1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationRegulation (EC) No 1107/2009 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-65-20/21/22-20/21
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses2-Hydroxy-5-(trifluoromethyl)pyridine (cas# 33252-63-0) is a compound useful in organic synthesis.
General Description2-Hydroxy-5-(trifluoromethyl)pyridine, a pyridine derivative, is a heterocyclic building block. They have useful applications in catalysis, drug design, molecular recognition, and natural product synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
22 records
Compound notes
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