Basic information
- CAS
52334-81-3- Standard SMILES
FC(F)(F)c1ccc(Cl)nc1- InChIKey
JFZJMSDDOOAOIV-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3N
- Average molar mass
- 181.54 g/mol
- Monoisotopic mass
- 180.99061144
Names & identifiers
- Preferred name
- 2-Chloro-5-(trifluoromethyl)pyridine
- IUPAC
- 2-chloro-5-(trifluoromethyl)pyridine
- English name
- 2-Chloro-5-trifluoromethylpyridine
- Molecular formula
- C6H3ClF3N
- Molecular weight
- 181.54
Names & synonyms
2-Chloro-5-(trifluoromethyl)pyridine2-Chloro-5-trifluoromethylpyridinePyridine, 2-chloro-5-(trifluoromethyl)-CCRIS 64302-Chloro-5-trifluoropyridineEINECS 257-856-5UNII-C9G66D966BBRN 3649688C9G66D966BDTXSID8075251JFZJMSDDOOAOIV-UHFFFAOYSA-EC 257-856-5
Show more names
5-CTF2,5-CTForo-5-(trifLTIMTEC-BB SBB0067282-Chloro-5-trifluoro2-Chloro-5-(Trifluoromethyl)Py2 - chloro - 5-3 Methyl pyridineHexadecanedioic Acid Impurity 202-Chlor-5-(trifluormethyl)pyridin
CHLORO-5-TRIFLUOROMETHYLPYRIDINE, 2-RefChem:86281DTXCID8041169257-856-5InChI=1/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3HJFZJMSDDOOAOIV-UHFFFAOYSA-N52334-81-3MFCD00042225
Database identifiers
- CAS
52334-81-3- PubChem CID
- 92342
- DTXSID
DTXSID8075251- UNII
- C9G66D966B
- EC Number
- 257-856-5
- Nikkaji
- J38.438K
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
- 32 · 32-34 °C(lit.)
- Boiling point
- 152 °C · 152 °C
- Density
- 1.417 g/mL · 1.417 g/mL at 25 °C(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Low Melting Solid
- pka
- -2.57 · -2.57±0.10(Predicted)
- color
- White to yellow
- Specific Gravity
- 1.417 · 1.417
- BRN
- 3649688 · 3649688
- InChI
- InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
- InChIKey
- JFZJMSDDOOAOIV-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(C(F)(F)F)C=C1
- CAS DataBase Reference
- 52334 · 52334-81-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 G66D966B · C9G66D966B
- EPA Substance Registry System
- 2 · Pyridine, 2-chloro-5-(trifluoromethyl)- (52334-81-3)
- 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,T,F
- Risk Statements
- 36 · 36/37/38-20/21/22-25-11
- Safety Statements
- 26 · 26-37/39-36/37/39-45-22-16
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 7530000 · US7530000
- Hazard Note
- Irritant
- TSCA
- T
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H302+H332 (21.8%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: No longer Valid Update: 10-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5316
Hazard Classes and CategoriesAcute Tox. 4 (67.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- T
- rtecs
- US7530000
- ridadr
- 2811
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22-25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,T,F
- hazard_note
- Irritant
- safety_code
- 26-37/39-36/37/39-45-22-16
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-5-(trifluoromethyl)pyridine may be employed as model substrate to investigate the regioexhaustive functionalization.
General Description2-Chloro-5-(trifluoromethyl)pyridine is a chloro(trifluoromethyl) pyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
393 records
Compound notes
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