2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-
Basic information
- CAS
68189-39-9- Standard SMILES
CC(=O)Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1- InChIKey
WUUGKDUMIQMLDN-UHFFFAOYSA-N- Molecular formula
- C20H19N3O11S3
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 573.01817195
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-
- IUPAC
- 7-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
- English name
- 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid
- Molecular formula
- C20H19N3O11S3
- Molecular weight
- 573.57
Names & synonyms
EINECS 269-197-02-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2-Naphthalenesulfonic acid, 7-acetylamino-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-7-(Acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid7-Acetamido-4-hydroxy-3-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-(Acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-2-naphthalenesulfonic acidRefChem:476962269-197-0
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Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,150
Experimental & physicochemical properties
Food AdditivesDevices -> FDA Regulatory Status of Color Additives
Physicochemical properties
- Boiling point
- 911.67 ℃[at · 911.67℃[at 101 325 Pa]
- Density
- 1.69 · 1.69[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 107.7 mg/L · 107.7mg/L at 25℃
- LogP
- -3.296 at · -3.296 at 25℃
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]- (68189-39-9)
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (13 of 13) of all reports.
Not Classified
Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-
REACH registered substance: 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid (EC: 269-197-0)
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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