Basic information
- CAS
72639-29-3- Standard SMILES
O=C(Nc1ccc(N=Nc2cc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3c2)c2cccc(S(=O)(=O)[O-])c12)c1ccc2nc(Cl)c(Cl)nc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
VPMRIEZGYICHGJ-UHFFFAOYSA-J- Molecular formula
- C29H13Cl2N5Na4O13S4
- Average molar mass
- 930.6 g/mol
- Monoisotopic mass
- 928.8360527
Names & identifiers
- Preferred name
- 1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;7-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonate
- English name
- tetrasodium 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulphonato-1-naphthyl]azo]naphthalene-1,3,5-trisulphonate
- Molecular formula
- C29H18Cl2N5NaO13S4
- Molecular weight
- 866.61
Names & synonyms
72639-29-3EINECS 276-752-0DTXSID508902311,3,5-Naphthalenetrisulfonic acid, 7-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-5-sulfo-1-naphthalenyl)azo)-, tetrasodium salt1,3,5-Naphthalenetrisulfonic acid, 7-(2-(4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4)8-(((2,3-Dichloroquinoxalin-6-yl)carbonyl)amino)-5-((1,3,5-trisulfo-7-naphthyl)azo)-1-naphthalenesulfonic acid, tetrasodium salt1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-, tetrasodium salt1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4)RefChem:72281DTXCID1010791667-4-(2,3-dichloro-6-quinoxalinyl)carbonylamino-5-sulphonato-1-naphthylazonaphthalene-1,3,5-trisulphonate (sodium salt)NS00062331
Show more names
C.I. Reactive Orange 30
Properties
Computed structural properties
- Topological polar surface area
- 342 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,800
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-, tetrasodium salt (72639-29-3)
- 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% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
Other Safety InformationIMAP assessments - 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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