2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
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Basic information
- CAS
154419-42-8- Standard SMILES
N#CC(c1ccc(Cl)nn1)c1ccccc1F- InChIKey
VIUNVHHXBJJUMQ-UHFFFAOYSA-N- Molecular formula
- C12H7ClFN3
- Average molar mass
- 247.65 g/mol
- Monoisotopic mass
- 247.0312531
Names & identifiers
- Preferred name
- 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
- IUPAC
- 2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
- English name
- 2-(6-CHLORO-3-PYRIDAZINYL)-2-(2-FLUOROPHENYL)ACETONITRILE
- Molecular formula
- C12H7ClFN3
- Molecular weight
- 247.66
Names & synonyms
154419-42-82-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrileDTXSID10420755RefChem:252994DTXCID003716012-(6-Chloro-3-pyridazinyl)-2-(2-fluorophenyl)acetonitrile2-(6-Chloro-3-pyridazinyl)-2-(2-fluorophenyl)-acetonitrileMFCD00202113SBB100317AKOS005069820CS-04473671F-011
Show more names
3-Pyridazineacetonitrile, 6-chloro-α-(2-fluorophenyl)-2-(6-Chloro-3-pyridazinyl)-2-(2-fluorophenyl)acetonitrile97%
(6-Chloropyridazin-3-yl)(2-fluorophenyl)acetonitrile2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)ethanenitrile
Database identifiers
- CAS
154419-42-8- PubChem CID
- 5708409
- DTXSID
DTXSID10420755
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 69 · 69-71°C
- Boiling point
- 417.3 · 417.3±40.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- -0.41 · -0.41±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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