4-(Trichloromethyl)pyridine
Basic information
- CAS
22796-40-3- Standard SMILES
ClC(Cl)(Cl)c1ccncc1- InChIKey
JYQFHKYYTOIWOQ-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3N
- Average molar mass
- 196.5 g/mol
- Monoisotopic mass
- 194.940932
Names & identifiers
- Preferred name
- 4-(Trichloromethyl)pyridine
- IUPAC
- 4-(trichloromethyl)pyridine
- English name
- 4-(trichloromethyl)pyridine
- Molecular formula
- C6H4Cl3N
- Molecular weight
- 196.46
Names & synonyms
4-(Trichloromethyl)pyridine22796-40-31EZG3N8F3AEINECS 245-226-2UNII-1EZG3N8F3APyridine, 4-(trichloromethyl)-DTXSID40177346RefChem:97577DTXCID8099837245-226-24-trichloromethylpyridinePyridine,4-(trichloromethyl)-
Show more names
MFCD097439704-(Trichlor-methyl)-pyridinSCHEMBL1499292SCHEMBL5720583JYQFHKYYTOIWOQ-UHFFFAOYSA-NXAA79640AKOS006331871SY210066
Database identifiers
- CAS
22796-40-3- PubChem CID
- 89838
- DTXSID
DTXSID40177346- UNII
- 1EZG3N8F3A
- EC Number
- 245-226-2
- Nikkaji
- J286.311A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 105 · 105-107 °C(Press: 18 Torr)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 2.96 · 2.96±0.26(Predicted)
- FDA UNII
- 1 EZG3N8F3A · 1EZG3N8F3A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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