3-(1,1-Difluoroethyl)pyridine
Basic information
- CAS
114468-03-0- Standard SMILES
CC(F)(F)c1cccnc1- InChIKey
WFCYXXQJORJHPH-UHFFFAOYSA-N- Molecular formula
- C7H7F2N
- Average molar mass
- 143.13 g/mol
- Monoisotopic mass
- 143.05465555
Names & identifiers
- Preferred name
- 3-(1,1-Difluoroethyl)pyridine
- IUPAC
- 3-(1,1-difluoroethyl)pyridine
- English name
- Pyridine,3-(1,1-difluoroethyl)-(9CI)
- Molecular formula
- C7H7F2N
- Molecular weight
- 143.13
Names & synonyms
3-(1,1-difluoroethyl)pyridine114468-03-0DTXSID50348742pyridine, 3-(1,1-difluoroethyl)-RefChem:92030DTXCID80299814InChI=1/C7H7F2N/c1-7(8,9)6-3-2-4-10-5-6/h2-5H,1HMFCD12404951Pyridine,3-(1,1-difluoroethyl)-(9CI)3-(1,1-Difluoro-ethyl)-pyridine2,2-Difluoro-2-(3-pyridyl)ethaneSCHEMBL13557773
Show more names
SCHEMBL15093659SCHEMBL29116231WFCYXXQJORJHPH-UHFFFAOYSA-OAKOS005258047CS-0441428H53765F766363
Database identifiers
- CAS
114468-03-0- PubChem CID
- 640478
- DTXSID
DTXSID50348742
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 168 °C · 168 °C
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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