6-Methyl-4-(trifluoromethyl)nicotinonitrile
Basic information
- CAS
13600-49-2- Standard SMILES
Cc1cc(C(F)(F)F)c(C#N)cn1- InChIKey
OXXIVQMBORORMR-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2
- Average molar mass
- 186.13 g/mol
- Monoisotopic mass
- 186.04048265
Names & identifiers
- Preferred name
- 6-Methyl-4-(trifluoromethyl)nicotinonitrile
- IUPAC
- 6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
- English name
- 6-Methyl-4-(trifluoromethyl)nicotinonitrile
- Molecular formula
- C8H5F3N2
- Molecular weight
- 186.13
Names & synonyms
6-methyl-4-(trifluoromethyl)nicotinonitrile13600-49-26-methyl-4-(trifluoromethyl)pyridine-3-carbonitrileMFCD015707866-Methyl-4-trifluoromethyl-nicotinonitrile6-Methyl-4-(trifluoromethyl)3-Pyridinecarbonitrile, 6-methyl-4-(trifluoromethyl)-orb3031346SCHEMBL14932518SCHEMBL19304808SCHEMBL30485052SCHEMBL30485063
Show more names
6-Methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
DTXSID40381724Fr12538SBB090367AKOS006230212SB33023s11026DS-16164DB-004858
Database identifiers
- CAS
13600-49-2- PubChem CID
- 2780976
- DTXSID
DTXSID40381724
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 57 °C · 57 °C
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.13 · 0.13±0.18(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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