2,6-Bis(trifluoromethyl)pyridine
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Basic information
- CAS
455-00-5- Standard SMILES
FC(F)(F)c1cccc(C(F)(F)F)n1- InChIKey
YPDVFTXBESQIPJ-UHFFFAOYSA-N- Molecular formula
- C7H3F6N
- Average molar mass
- 215.1 g/mol
- Monoisotopic mass
- 215.01696807
Names & identifiers
- Preferred name
- 2,6-Bis(trifluoromethyl)pyridine
- IUPAC
- 2,6-bis(trifluoromethyl)pyridine
- English name
- 2,6-BIS(TRIFLUOROMETHYL)PYRIDINE
- Molecular formula
- C7H3F6N
- Molecular weight
- 215.1
Names & synonyms
2,6-Bis(trifluoromethyl)pyridine455-00-5Pyridine, 2,6-bis(trifluoromethyl)-DTXSID10343470RefChem:83095DTXCID60294549622-745-6YPDVFTXBESQIPJ-UHFFFAOYSA-NMFCD00236675SCHEMBL3295150AKOS0050634532,6-Bis(trifluoromethyl)pyridine, 97%
Show more names
2,6-DI(TRIFLUOROMETHYL)PYRIDINE2,6-Bis(trifluoromethyl)pyridine>Pyridine, 2,6-bis(trifluoroMethyl)-2,6-BIS(TRIFLUOROMETHYL)PYRIDINE ISO 9001：2015 REACH
AC-28579CS-00460352,6-bis(trifluoromethyl)-PyridineAMY37068FT-0610522A18795SCHEMBL1804366SCHEMBL2120639
Database identifiers
- CAS
455-00-5- PubChem CID
- 589864
- DTXSID
DTXSID10343470- EC Number
- 622-745-6
- Nikkaji
- J105.318C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 55 · 55-59 °C
- Boiling point
- 82 °C · 82 °C 18 mm Hg
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- Flash point
- 153 °C · 153 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- -4.12 · -4.12±0.24(Predicted)
- color
- White to Almost white
- BRN
- 188806 · 188806
- InChI
- InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H
- InChIKey
- YPDVFTXBESQIPJ-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC(C(F)(F)F)=CC=C1
- CAS DataBase Reference
- 455 · 455-00-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
Danger
H228 (95.2%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (95.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2926 4.1/PG 3
- hs_code
- 29333990
- risk_code
- 11-25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F,T,Xi
- hazard_note
- Irritant
- safety_code
- 26-45
- hazard_class
- IRRITANT, TOXIC
- Storage Class
- 4.1B - Flammable solid hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H228-H301-H315-H319-H335
Chemistry & industry
Applications
Uses2,6-Di(trifluoromethyl)pyridine is a heterocyclic derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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