Basic information
- CAS
70236-51-0- Standard SMILES
COc1ccc(S(=O)(=O)[O-])cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(Nc3nc(Nc4ccccc4)nc(Nc4cc(C)c(N=Nc5cc(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(O)c56)cc4OC)n3)ccc2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
ALPKFOALTCELEH-UHFFFAOYSA-J- Molecular formula
- C44H32N10Na4O16S4
- Average molar mass
- 1,177 g/mol
- Monoisotopic mass
- 1,176.0471368
Names & identifiers
- Preferred name
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
- IUPAC
- tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
- English name
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
- Molecular formula
- C44H32N10Na4O16S4
- Molecular weight
- 1177.00136
Names & synonyms
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((4-((5-hydroxy-6-(2-(2-methoxy-5-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[4-[[5-hydroxy-6-[2-(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)RefChem:4462672,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-4-5-hydroxy-6-(2-methoxy-5-sulfophenyl)azo-7-sulfo-2-naphthalenylamino-6-(phenylamino)-1,3,5-triazin-2-ylamino-5-methoxy-2-methylphenylazo-, tetrasodium salt274-482-870236-51-0ADS-J12,7-Naphthalenedisulfonic acid 4-hydroxy-5-4-4-5-hydroxy-6-(2-methoxy-5-sulfophenyl)azo-7-sulfo-2-naphthalenylamino-6-(phe nylamino)-1,3,5-triazin-2-ylamino-5-methoxy-2-methylphenylazo (sodium salt)Tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonateADS J1
Show more names
OYEVCBLKTRUBAM-JFAYLDCNSA-N2,7-Naphthalenedisulfonic ay-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt2,7-Naphthalenedisulfonic acid,4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl] azo]-,tetrasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl] azo]-, tetrasodium salt
orb1740644SCHEMBL30118533DTXSID50904443ADS-J1, ADSJ1, ADS J1EINECS 274-482-8NS00062892T688362,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthyl)amino-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
Database identifiers
- CAS
70236-51-0- PubChem CID
- 166137
- DTXSID
DTXSID50904443- EC Number
- 274-482-8
Properties
Computed structural properties
- Topological polar surface area
- 445 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 12
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,350
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt (70236-51-0)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- 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 38.5% (5 of 13) of reports.
Warning
H317 (61.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-4-5-hydroxy-6-(2-methoxy-5-sulfophenyl)azo-7-sulfo-2-naphthalenylamino-6-(phenylamino)-1,3,5-triazin-2-ylamino-5-methoxy-2-methylphenylazo-, tetrasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (61.5%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[4-[[5-hydroxy-6-[2-(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4): ACTIVE
Suppliers5 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…