Basic information
- CAS
61968-79-4- Standard SMILES
COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1N=Nc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12- InChIKey
SECAKRZQBSFFML-UHFFFAOYSA-N- Molecular formula
- C31H24N4O8S
- Average molar mass
- 612.6 g/mol
- Monoisotopic mass
- 612.13148491
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxybenzenesulfonate
- English name
- nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
- Molecular formula
- C31H24N4O8S
- Molecular weight
- 612.61
Names & synonyms
DTXSID90868156Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester1-((2-Methoxy-5-((4-nitrophenoxy)sulfonyl)phenyl)azo)-3-(((2-methylphenyl)amino)carbonyl)-2-naphtholBenzenesulfonic acid, 3-((2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)azo)-4-methoxy-, 4-nitrophenyl esterBenzenesulfonic acid, 3-(2-(2-hydroxy-3-(((2-methylphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-, 4-nitrophenyl esterBenzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl esterRefChem:564278DTXCID10816290612-905-372639-39-5Pigment red 95EINECS 276-755-7
Show more names
UORQSRSLZXYOJT-JEIPZWNWSA-Nbenzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphtnitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 801 · 801.0±65.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 11.98 · 11.98±0.70(Predicted)
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester (72639-39-5)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (42 of 42) of all reports.
Not Classified
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 3-[[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methoxy-, 4-nitrophenyl ester: Human health tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester: ACTIVE
Applications
UsesPigment red 95 is a commonly used commercial dye for bulk coloring of plastics and synthetic fibers and for surface coatings such as paints and inks.
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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