2-Chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate
Basic information
- CAS
68391-58-2- Standard SMILES
CN(C)c1cc(Cl)c([N+]#N)cc1Oc1ccc(Cl)cc1.F[P-](F)(F)(F)(F)F- InChIKey
KCWFWUUKSNYLKP-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2F6N3OP
- Average molar mass
- 454.1 g/mol
- Monoisotopic mass
- 452.9999234
Names & identifiers
- Preferred name
- 2-Chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate
- IUPAC
- 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate
- English name
- 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate
- Molecular formula
- C14H12Cl2F6N3OP
- Molecular weight
- 454.13
Names & synonyms
NS000910882-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphateBenzenediazonium, 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) (ACI)
Database identifiers
- CAS
68391-58-2- PubChem CID
- 21118596
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenediazonium, 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)-, hexafluorophosphate(1-) (68391-58-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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