Basic information
- CAS
68594-62-7- Standard SMILES
CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(C(F)(F)F)c1- InChIKey
WZMFZOXPBUCMPA-UHFFFAOYSA-N- Molecular formula
- C19H15F3N4O5S
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.07152525
Names & identifiers
- Preferred name
- 5-[2-[4-(Acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-2-naphthalenesulfonic acid
- IUPAC
- 5-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
- English name
- 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C19H15F3N4O5S
- Molecular weight
- 468.41
Names & synonyms
9G77SUU52Q2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acidEINECS 271-617-2UNII-9G77SUU52QDTXSID00717025-((4-Acetamido-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxynaphthalene-2-sulphonic acid2-Naphthalenesulfonic acid, 5-((4-(acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-5-((4-(Acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 5-(2-(4-(acetylamino)-2-(trifluoromethyl)phenyl)diazenyl)-6-amino-4-hydroxy-5-(2-(4-(Acetylamino)-2-(trifluoromethyl)phenyl)diazenyl)-6-amino-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 5-[2-[4-(acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-
Show more names
5-(4-Acetylamino-2-trifluoromethylphenylazo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 819
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- -0.44 · -0.44±0.40(Predicted)
- FDA UNII
- 9 G77SUU52Q · 9G77SUU52Q
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy- (68594-62-7)
- 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, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[4-(acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…