1,3-Naphthalenedisulfonic acid, 7-((4-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt
Basic information
- CAS
4197-00-6- Standard SMILES
O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(N=Nc3ccc(N=Nc4c(O)c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])ccc45)c4ccccc34)ccc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
ORBNBYIWHMHZGY-UHFFFAOYSA-J- Molecular formula
- C30H16N4Na4O13S4
- Average molar mass
- 860.7 g/mol
- Monoisotopic mass
- 859.9187484
Overview
See also: Brilliant Black (annotation moved to).
Names & identifiers
- Preferred name
- 1,3-Naphthalenedisulfonic acid, 7-((4-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt
- IUPAC
- tetrasodium;4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
- English name
- tetrasodium (4Z)-4-[[4-(6,8-disulfonatonaphthalen-2-yl)diazenylnaphthalen-1-yl]hydrazinylidene]-3-oxo-naphthalene-2,7-disulfonate
- Molecular formula
- C30H21N4NaO13S4
- Molecular weight
- 796.74
Names & synonyms
4197-00-6MQF6L45YQFC.I. 272601,3-Naphthalenedisulfonic acid, 7-((4-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-, tetrasodium saltC.I. Acid Black 3, tetrasodium saltUNII-MQF6L45YQFDTXSID701380634AKOS004901467CI 27260Tetrasodium;4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonate1,3-NAPHTHALENEDISULFONIC ACID, 7-(2-(4-(2-(2-HYDROXY-3,6-DISULFO-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:4)Acid Black 3
Show more names
C.I.Acid Black 3C.I.Acid Black 3:C.I.272607-[[4-[(2-Hydroxy-3,6-disulfo-1-naphtyl)azo]-1-naphtyl]azo]-1,3-naphthalenedisulfonic acid tetrasodium salt7-[[4-[(2-oxido-3-sulfo-6-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonate4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate
Properties
Computed structural properties
- Topological polar surface area
- 332 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,720
Physicochemical properties
- FDA UNII
- 6 L45YQF · MQF6L45YQF
Chemistry & industry
Preparation methods
Preparation7-Aminonaphthalene-1,3-disulfonic acid diazo, and Naphthalen-1-amine coupling, again diazo, coupled with 3-Hydroxynaphthalene-2,7-disulfonic acid.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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