3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
Basic information
- CAS
99902-93-9- Standard SMILES
N#Cc1cccnc1Oc1ccc(Cl)c(Cl)c1- InChIKey
XYVUJRFTULRGGP-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2N2O
- Average molar mass
- 265.09 g/mol
- Monoisotopic mass
- 263.9857182
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
- IUPAC
- 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
- English name
- 2-(3,4-Dichlorophenoxy)nicotinonitrile
- Molecular formula
- C12H6Cl2N2O
- Molecular weight
- 265.09
Names & synonyms
99902-93-92-(3,4-dichlorophenoxy)nicotinonitrile2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-MFCD132388922-(3,4-DICHLOROPHENOXY)-3-PYRIDINECARBONITRILECHEMBL134369SCHEMBL10955865DTXSID90244335AKOS008994857AS-0126CS-0457853
Show more names
Reaxys ID: 6726765
Database identifiers
- CAS
99902-93-9- PubChem CID
- 514885
- DTXSID
DTXSID90244335- ChEMBL
CHEMBL134369
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 388.7 · 388.7±42.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -1.45 · -1.45±0.22(Predicted)
- 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
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Related reactions
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Compound notes
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