3-(Trifluoromethyl)pyridine

CAS 3796-23-4
C6H4F3N

3-(Trifluoromethyl)pyridine (CAS 3796-23-4) is a chemical compound with molecular formula C6H4F3N and molecular weight 147.1 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Toxic, Health Hazard.

What is 3-(Trifluoromethyl)pyridine?

Molecular Formula
C6H4F3N
Molecular Weight
147.10 g/mol

Structure Identifiers

SMILES
C1=CC(=CN=C1)C(F)(F)F
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
InChIKey
JTZSFNHHVULOGJ-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
147.0296 Da
XLogP
1.70
TPSA
12.9 Ų
H-Bond Donors
0
H-Bond Acceptors
4
Complexity
110
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Flammable GHS02
GHS pictogram: Toxic GHS06
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H225 Highly flammable liquid and vapour

Precautionary Statements

  • P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
  • P233 Keep container tightly closed
  • P240 Ground/bond container and receiving equipment
  • P241 Use explosion-proof electrical/ventilating/lighting equipment
  • P242 Use only non-sparking tools
  • P243 Take precautionary measures against static discharge
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P370+P378 In case of fire: Use appropriate media for extinction
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P403+P235 Store in a well-ventilated place. Keep cool
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (46)

  • 3-FMP
  • T2786
  • AC-3260
  • PS-8935
  • SB52461
  • 223-268-2
  • 3796-23-4
  • BBL102780
  • DB-008253
  • DB-023668
  • DB-228751
  • SBB039117
  • STL556586
  • 625H9FC8CE
  • CS-W004326
  • NS00045780
  • ST50146594
  • EN300-09350
  • MFCD00100032
  • SCHEMBL13577
  • SCHEMBL28585
  • AKOS000122978
  • RefChem:95496
  • SCHEMBL133335
  • SCHEMBL177791
  • SCHEMBL407461
  • DTXCID20113888
  • DTXSID10191397
  • SCHEMBL6482308
  • SCHEMBL9901713
  • SCHEMBL9903099
  • SCHEMBL9903129
  • SCHEMBL9903700
  • SCHEMBL29387897
  • UNII-625H9FC8CE
  • 3-(CF3)-pyridine
  • EINECS 223-268-2
  • 3-Trifluoromethylpyridine
  • 5-trifluoromethylpyridine
  • M-TRIFLUOROMETHYLPYRIDINE
  • 3-Trifluoromethyl-pyridine
  • 3-(Trifluoromethyl)pyridine
  • FAZSOOVZSUELEM-UHFFFAOYSA-N
  • 3-(trifluoromethyl)-pyridine
  • Pyridine, 3-(trifluoromethyl)-
  • 3-(Trifluoromethyl)pyridine, 97%

Frequently asked questions

What is the CAS number of 3-(Trifluoromethyl)pyridine?

The CAS Registry Number for 3-(Trifluoromethyl)pyridine is 3796-23-4.

What is the molecular formula of 3-(Trifluoromethyl)pyridine?

3-(Trifluoromethyl)pyridine has the molecular formula C6H4F3N and a molecular weight of 147.1 g/mol.

What is the SMILES notation for 3-(Trifluoromethyl)pyridine?

The SMILES notation for 3-(Trifluoromethyl)pyridine is C1=CC(=CN=C1)C(F)(F)F.

Is 3-(Trifluoromethyl)pyridine hazardous?

3-(Trifluoromethyl)pyridine carries the following GHS hazard classifications: Flammable, Toxic, Health Hazard. Signal word: Danger.

What are other names for 3-(Trifluoromethyl)pyridine?

3-(Trifluoromethyl)pyridine is also known as 223-268-2, 3-(CF3)-pyridine, 3-(trifluoromethyl)-pyridine, 3-(Trifluoromethyl)pyridine, 3-(Trifluoromethyl)pyridine, 97%.

Data sourced from PubChem CID 77417. Last updated .

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