Basic information
- CAS
368-48-9- Standard SMILES
FC(F)(F)c1ccccn1- InChIKey
ATRQECRSCHYSNP-UHFFFAOYSA-N- Molecular formula
- C6H4F3N
- Average molar mass
- 147.1 g/mol
- Monoisotopic mass
- 147.02958379
Overview
structure in first source
Names & identifiers
- Preferred name
- Trifluoromethylpyridine
- IUPAC
- 2-(trifluoromethyl)pyridine
- English name
- 2-(Trifluoromethyl)pyridine
- Molecular formula
- C6H4F3N
- Molecular weight
- 147.1
Names & synonyms
trifluoromethylpyridineRefChem:4625892-(Trifluoromethyl)pyridine368-48-92-trifluoromethylpyridineMFCD021835622-(1,1,1-Trifluoromethyl)pyridine2-Trifluoromethyl-pyridinePyridine, (trifluoromethyl)-Pyridine, 2-(trifluoromethyl)-2-(CF3)-pyridinetrifluoromethyl pyridine
Show more names
α,α,α-trifluoro-2-picolineà,à,à-trifluoro-2-picoline2-(TrifluoroMethyl)pyridine, 95+%2-trifluoromethylpyridine UNDRE RDALPHA,ALPHA,ALPHA-TRIFLUORO-2-PICOLINE2-(Trifluoromethyl)pyridine ISO 9001：2015 REACH2-(Trifluoromethyl)pyridine,α,α,α-Trifluoro-2-picoline
(trifluoromethyl)pyridine2-Trifluoromethyl Pyridinea,a,a-Trifluoro-2-picolineSCHEMBL73269SCHEMBL75331SCHEMBL840512-(trifluoromethyl)-pyridineSCHEMBL128559
Database identifiers
- CAS
368-48-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 139 · 139-141 °C
- Density
- 1.275 g/mL · 1.275 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.419
- Flash point
- 109 °F · 109 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in most organic solvents.
- pka
- 0.6 · 0.60±0.12(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 3112 · 3112
- InChI
- InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
- InChIKey
- ATRQECRSCHYSNP-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC=CC=C1
- CAS DataBase Reference
- 368 · 368-48-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-(CF3)-pyridine(368-48-9)
- UNSPSC Code
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2933399990
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
Chemistry & industry
Applications
UsesLithiation with n-BuLi/LiOCH2CH2NMe2takes place at the 6-position, affording access to 6-substituted derivatives. With LiTMP. It is a building block in heterocycle synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
11 records
Compound notes
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