2,3,5,6-Tetrachloroisonicotinonitrile
Basic information
- CAS
16297-06-6- Standard SMILES
N#Cc1c(Cl)c(Cl)nc(Cl)c1Cl- InChIKey
WQGYOIRZZWUJJU-UHFFFAOYSA-N- Molecular formula
- C6Cl4N2
- Average molar mass
- 241.9 g/mol
- Monoisotopic mass
- 239.881559
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrachloroisonicotinonitrile
- IUPAC
- 2,3,5,6-tetrachloropyridine-4-carbonitrile
- English name
- 2,3,5,6-TETRACHLOROISONICOTINONITRILE
- Molecular formula
- C6Cl4N2
- Molecular weight
- 241.89
Names & synonyms
2,3,5,6-Tetrachloroisonicotinonitrile16297-06-6DTXSID30347117RefChem:244097DTXCID202981892,3,5,6-tetrachloropyridine-4-carbonitriletetrachloropyridine-4-carbonitriletetrachloro-4-cyanopyridinetetrachloroisonicotinonitrileSCHEMBL6445365MFCD01570864SBB055647
Show more names
2,3,5,6-Tetrachloro-4-cyanopyridine2,3,5,6-Tetrachloro-4-pyridinecarbonitrile4-Pyridinecarbonitrile, 2,3,5,6-tetrachloro-
AKOS0159107802,3,5,6-Tetrachloroisonicotinonitrile #Pyridine-4-carbonitrile, 2,3,5,6-tetrachloro-F050145
Database identifiers
- CAS
16297-06-6- PubChem CID
- 618036
- DTXSID
DTXSID30347117
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 139 · 139-141
- Boiling point
- 298.3 · 298.3±35.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- -7.59 · -7.59±0.50(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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