Basic information
- CAS
25188-23-2- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1- InChIKey
XKNUVBQTZXGYHL-UHFFFAOYSA-N- Molecular formula
- C33H24N6O9S2
- Average molar mass
- 712.7 g/mol
- Monoisotopic mass
- 712.10461871
Names & identifiers
- Preferred name
- 7,7'-(Carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-2-naphthalenesulfonic acid]
- IUPAC
- 4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
Names & synonyms
25188-23-27,7'-(Carbonyldiimino)bis(4-hydroxy-3-(2-phenyldiazenyl)-2-naphthalenesulfonic acid)7,7'-(Carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-2-naphthalenesulfonic acid]RefChem:309856Brillant OrangeNSC16223NSC47749CHEMBL1092449XKNUVBQTZXGYHL-UHFFFAOYSA-NEINECS 246-725-8NS000843742-Naphthalenesulfonic acid, 7, {7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)-,}
Show more names
7,7'-(Carbonyldiimino)bis(4-hydroxy-3-(phenylazo)naphthalene-2-sulphonic) acid4-Hydroxy-7-((((5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl)amino)carbonyl)amino)-3-(phenyldiazenyl)-2-naphthalenesulfonic acid4-Hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo(2-naphthyl)]amino}carbonylamino)-3-(phenyldiazenyl)naphthalene-2-sulfonic acid-4-hydroxy-7-[[5-hydroxy-6-[(E)-phenylazo]-7-sulfo-2-naphthyl]carbamoylamino]-3-[(E)-phenylazo]naphthalene-2-sulfonic acid
Database identifiers
- CAS
25188-23-2- PubChem CID
- 77183
- DTXSID
DTXSID601025776- ChEMBL
CHEMBL1092449
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,340
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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