2-Chloro-5,6-difluoronicotinonitrile
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Basic information
- CAS
1309371-71-8- Standard SMILES
N#Cc1cc(F)c(F)nc1Cl- InChIKey
KMPFYIMYUVTMOK-UHFFFAOYSA-N- Molecular formula
- C6HClF2N2
- Average molar mass
- 174.53 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5,6-difluoronicotinonitrile
- IUPAC
- 2-chloro-5,6-difluoropyridine-3-carbonitrile
- English name
- 2-Chloro-5,6-difluoronicotinonitrile
- Molecular formula
- C6HClF2N2
- Molecular weight
- 174.54
Names & synonyms
2-Chloro-5,6-difluoronicotinonitrile1309371-71-82-chloro-5,6-difluoropyridine-3-carbonitrile2-Chloro-5,6-difluoro-nicotinonitrileC6HClF2N2MFCD279967463-Pyridinecarbonitrile, 2-chloro-5,6-difluoro-2-Chloro-5,6-difluoro-3-pyridinecarbonitrileSCHEMBL14332441SCHEMBL31633214KMPFYIMYUVTMOK-UHFFFAOYSA-NAKOS022190003
Show more names
SB32759CS-16713DB-192701CS-01026392-chloro-5,6-difluoro-pyridine-3-carbonitrileD72088F606022
Database identifiers
- CAS
1309371-71-8- Nikkaji
- J3.423.082J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 249.1 · 249.1±35.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -7.1 · -7.10±0.10(Predicted)
- form
- solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- 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
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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