4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine
Basic information
- CAS
1378865-93-0- Standard SMILES
Cc1ccnc(C(C)(C)C(F)(F)F)c1- InChIKey
YDCXKPKYKHZBLU-UHFFFAOYSA-N- Molecular formula
- C10H12F3N
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.09218387
Names & identifiers
- Preferred name
- 4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine
- IUPAC
- 4-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
- English name
- 4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine
- Molecular formula
- C10H12F3N
- Molecular weight
- 203.2
Names & synonyms
1378865-93-0DTXSID7012076024-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridineRefChem:525037DTXCID901638998814-234-34-METHYL-2-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)PYRIDINEMFCD171698444-Methyl-2-(2,2,2-trifluoro-1,1-dimethyl-ethyl)pyridineSCHEMBL12496989AKOS027331702AC-33513
Show more names
Pyridine, 4-methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)-
BS-51665SY276969DS-016843CS-0324415NS00134176F7253434-Methyl-2-(1,1,1-trifluoro-2-dimethyl-2-ethyl)pyridine4-Methyl-2-(1,1,1-trifluoro-2-methyl-2-propanyl)pyridine
Database identifiers
- CAS
1378865-93-0- PubChem CID
- 57748126
- DTXSID
DTXSID701207602- EC Number
- 814-234-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Boiling point
- 190.2 · 190.2±40.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.78 · 4.78±0.20(Predicted)
- InChI
- InChI=1S/C10H12F3N/c1-7-4-5-14-8(6-7)9(2,3)10(11,12)13/h4-6H,1-3H3
- InChIKey
- YDCXKPKYKHZBLU-UHFFFAOYSA-N
- SMILES
- C1(C(C)(C)C(F)(F)F)=NC=CC(C)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine (EC: 814-234-3)
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methyl-2-(1,1,1-trifluoro-2-dimethyl-2-ethyl)pyridine is a heterocyclic organic compound that can be used as an organic intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…