Basic information
- CAS
75627-25-7- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4cccc5ccccc45)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2c1- InChIKey
KTVGDGXRDDXLNN-UHFFFAOYSA-N- Molecular formula
- C30H21N5O7S2
- Average molar mass
- 627.7 g/mol
- Monoisotopic mass
- 627.08824037
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-(2-(4-(2-(1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-
- IUPAC
- 7-amino-4-hydroxy-3-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
- English name
- 7-Amino-4-hydroxy-3-[[4-(1-naphtylazo)-7-sulfo-1-naphtyl]azo]-2-naphthalenesulfonic acid
- Molecular formula
- C30H21N5O7S2
- Molecular weight
- 627.65
Names & synonyms
7-Amino-4-hydroxy-3-((4-(1-naphthalenylazo)-7-sulfo-1-naphthalenyl)azo)-2-naphthalenesulfonic acidDTXSID908884902-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-((4-(1-naphthalenylazo)-7-sulfo-1-naphthalenyl)azo)-2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-(2-(4-(2-(1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[4-(1-naphthalenylazo)-7-sulfo-1-naphthalenyl]azo]-2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[2-(1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-RefChem:477002DTXCID20102776875627-25-7KTVGDGXRDDXLNN-UHFFFAOYSA-N7-Amino-4-hydroxy-3-({4-[(naphthalen-1-yl)diazenyl]-7-sulfonaphthalen-1-yl}diazenyl)naphthalene-2-sulfonic acid7-Amino-4-hydroxy-3-[[4-(1-naphtylazo)-7-sulfo-1-naphtyl]azo]-2-naphthalenesulfonic acid
Database identifiers
- CAS
75627-25-7- PubChem CID
- 173451
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,290
Physicochemical properties
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.40(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[4-(1-naphthalenylazo)-7-sulfo-1-naphthalenyl]azo]- (75627-25-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[2-[4-[2-(1-naphthalenyl)diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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