Basic information
- CAS
3836-78-0- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(Cl)cc1C(F)(F)F- InChIKey
QUNVBZBEOIMRIE-UHFFFAOYSA-N- Molecular formula
- C17H11ClF3N3O4S
- Average molar mass
- 445.8 g/mol
- Monoisotopic mass
- 445.0110892
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-
- IUPAC
- 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
- English name
- 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C17H11ClF3N3O4S
- Molecular weight
- 445.8
Names & synonyms
2-Naphthalenesulfonic acid, 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy-EINECS 223-327-2DTXSID80632062-Naphthalenesulfonic acid, 6-amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxy-2-Naphthalenesulfonic acid, 6-amino-5-(2-(4-chloro-2-(trifluoromethyl)phenyl)diazenyl)-4-hydroxy-6-Amino-5-((4-chloro-alpha,alpha,alpha-trifluoro-o-tolyl)azo)-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-RefChem:476859DTXCID50394803836-78-05-[2-[4-chloro-2-(trifluoromethyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid6-Amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid
Show more names
4-Hydroxy-5-[4-chloro-2-(trifluoromethyl)phenylazo]-6-amino-2-naphthalenesulfonic acid6-Amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy-2-naphthalenesulfonic acid
6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acidGLT4YW2VUJSCHEMBL12387833QUNVBZBEOIMRIE-UHFFFAOYSA-NQUNVBZBEOIMRIE-VHXPQNKSSA-NQUNVBZBEOIMRIE-WCWDXBQESA-NWOUSFUDYQVNUEC-UHFFFAOYSA-NNS00044894
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Density
- 1.682 · 1.682±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.451 · -0.451±0.40(predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy- (3836-78-0)
- 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.
Hazard information
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy-
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxy-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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