Basic information
- CAS
3566-95-8- Standard SMILES
Oc1ccc2ccccc2c1N=Nc1nc2ccc(Br)cc2s1- InChIKey
WALUZLUKHAIPEB-UHFFFAOYSA-N- Molecular formula
- C17H10BrN3OS
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 382.9728
Names & identifiers
- Preferred name
- 1-(2-(6-Bromo-2-benzothiazolyl)diazenyl)-2-naphthalenol
- IUPAC
- 1-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
- English name
- 1-(6-Bromo-2-benzothiazolylazo)-2-naphthol
- Molecular formula
- C17H10BrN3OS
- Molecular weight
- 384.25
Names & synonyms
3566-95-81-(2-(6-Bromo-2-benzothiazolyl)diazenyl)-2-naphthalenol1-[2-(6-Bromo-2-benzothiazolyl)diazenyl]-2-naphthalenolRefChem:2230602-Naphthalenol, 1-((6-bromo-2-benzothiazolyl)azo)-2-Naphthalenol, 1-[(6-bromo-2-benzothiazolyl)azo]-1-[(E)-(6-bromo-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol1-(6-Bromo-2-benzothiazolylazo)-2-naphtholDTXSID4063082WALUZLUKHAIPEB-UHFFFAOYSA-N2-Naphthalenol, 1-(2-(6-bromo-2-benzothiazolyl)diazenyl)-STL582619
Show more names
1-[(6-Bromo-2-benzothiazolyl)azo]-2-naphthalenol
AKOS0408945211-[(6-bromo-2-benzothiazolyl)azo]-2-naphthol1-[(6-Bromo-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
Database identifiers
- CAS
3566-95-8- PubChem CID
- 77112
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 565.869 · 565.869±56.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.666 · 1.666±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.44 · 8.440±0.50(predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenol, 1-[(6-bromo-2-benzothiazolyl)azo]- (3566-95-8)
- 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, 1-[2-(6-bromo-2-benzothiazolyl)diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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