Basic information
- CAS
68109-78-4- Standard SMILES
Nc1ccc(N=Nc2ccccc2Cl)c2cc(O)ccc12- InChIKey
OGFORZWKZAWVGL-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O
- Average molar mass
- 297.74 g/mol
- Monoisotopic mass
- 297.0668897
Names & identifiers
- Preferred name
- 5-Amino-8-[2-(2-chlorophenyl)diazenyl]-2-naphthalenol
- IUPAC
- 5-amino-8-[(2-chlorophenyl)diazenyl]naphthalen-2-ol
- English name
- 5-Amino-8-[(2-chlorophenyl)azo]-2-naphthalenol
- Molecular formula
- C16H12ClN3O
- Molecular weight
- 297.74
Names & synonyms
68109-78-45-Amino-8-(2-(2-chlorophenyl)diazenyl)-2-naphthalenol5-Amino-8-[2-(2-chlorophenyl)diazenyl]-2-naphthalenolRefChem:3010582-Naphthalenol, 5-amino-8-((2-chlorophenyl)azo)-2-Naphthalenol, 5-amino-8-[(2-chlorophenyl)azo]-DTXSID50710922-Naphthalenol, 5-amino-8-(2-(2-chlorophenyl)diazenyl)-OGFORZWKZAWVGL-UHFFFAOYSA-N5-Amino-8-[(2-chlorophenyl)diazenyl]naphthalen-2-ol5-Amino-8-[(2-chlorophenyl)azo]-2-naphthalenol2-Naphthalenol, 5-amino-8-[2-(2-chlorophenyl)diazenyl]-
Database identifiers
- CAS
68109-78-4- PubChem CID
- 106591
- DTXSID
DTXSID5071092- Nikkaji
- J429.740G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 546 · 546.0±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.12 · 9.12±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenol, 5-amino-8-[(2-chlorophenyl)azo]- (68109-78-4)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenol, 5-amino-8-[2-(2-chlorophenyl)diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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