2-Hydroxy-5-(trifluoromethyl)pyridine (HCID 147443)

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 properties

XLogP: 0.6
Topological polar surface area: 29.1 Å²
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
CAS DataBase Reference: 33252 · 33252-63-0(CAS DataBase Reference)
FDA UNII: 1 CCP81H07B · 1CCP81H07B
EPA Substance Registry System: 2 · 2(1H)-Pyridinone, 5-(trifluoromethyl)- (33252-63-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-65-20/21/22-20/21
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

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.