Basic information
- CAS
65753-47-1- Standard SMILES
FC(F)(F)c1cccnc1Cl- InChIKey
RXATZPCCMYMPME-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3N
- Average molar mass
- 181.54 g/mol
- Monoisotopic mass
- 180.99061144
Names & identifiers
- Preferred name
- 2-Chloro-3-(trifluoromethyl)pyridine
- IUPAC
- 2-chloro-3-(trifluoromethyl)pyridine
- English name
- 2-Chloro-3-(trifluoromethyl)pyridine
- Molecular formula
- C6H3ClF3N
- Molecular weight
- 181.54
Names & synonyms
2-Chloro-3-(trifluoromethyl)pyridine2-Chloro-3-trifluoromethylpyridineDTXSID00343464EC 424-520-6RefChem:468654DTXCID00294543424-520-6628-932-965753-47-1MFCD000422233-TRIFLUOROMETHYL-2-CHLOROPYRIDINEPYRIDINE, 2-CHLORO-3-(TRIFLUOROMETHYL)-
Show more names
2,3-ctf2-Chloro-3-trifuoromethylpyridine2-Chloro-3-Trifluromethyl PyridineBUTTPARK 45\10-292-Chloro-3-(trifluor2-Chloro-3-(trifluoromethyl)ptridine2-chloro-3-(trifluoroMethyl)pyridien2-chloro-3-triifluoromethyl pyridine
2-Chloro-3-trifluoro methylpyridineSCHEMBL120643SCHEMBL791457SCHEMBL895449SCHEMBL8369885CHEMBL4646571SCHEMBL293889652-chloro-3-trifiuoromethylpyridine
Database identifiers
- CAS
65753-47-1- PubChem CID
- 589833
- DTXSID
DTXSID00343464- ChEMBL
CHEMBL4646571- EC Number
- 424-520-6、628-932-9
- Nikkaji
- J62.500K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- 36 · 36-40 °C(lit.)
- Boiling point
- 166 · 166-168°C
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- Flash point
- 180 °F · 180 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- pka
- -1.68 · -1.68±0.10(Predicted)
- form
- Crystals
- color
- Semi-transparent
- BRN
- 4179716 · 4179716
- InChI
- InChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
- InChIKey
- RXATZPCCMYMPME-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC=C1C(F)(F)F
Safety & regulation
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H228 (81.2%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3988
Hazard Classes and Categories
Acute Tox. 3 (100%)
Flam. Sol. 1 (81.2%)
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2926 4.1/PG 2
- hs_code
- 29333990
- risk_code
- 11-25-36/37/38-52/53-48/25-34-24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08
- hazard_code
- F,T,Xi
- hazard_note
- Irritant
- safety_code
- 16-22-36/37/39-45-61-26-23
Chemistry & industry
Applications
Uses2-Chloro-3-(trifluoromethyl)pyridine may be used in the preparation of 5,5′-bis(trifluoromethyl)-2,2′-bipyridine, via modified Ullmann reaction.
General Description2-Chloro-3-(trifluoromethyl)pyridine is a trifluoromethyl-substituted pyridine derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
127 records
Compound notes
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