2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4)

HCID 106533

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Basic information

CAS: 68084-09-3
Standard SMILES: COc1cc(-c2ccc(N=Nc3c(O)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc34)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
InChIKey: ZWCNUFNKRHSFAK-UHFFFAOYSA-J
Molecular formula: C34H23N5Na4O16S4
Average molar mass: 977.8 g/mol
Monoisotopic mass: 976.9613415

Names & identifiers

Preferred name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4)
IUPAC: tetrasodium;5-amino-4-hydroxy-3-[[4-[4-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate
English name: tetrasodium 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate
Molecular formula: C34H23N5Na4O16S4
Molecular weight: 977.7894

Names & synonyms

68084-09-3EINECS 268-421-42,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4)RefChem:446430DTXSID8071069Tetrasodium 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulphonato-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonateNS00064539Tetrasodium 5-amino-4-hydroxy-3-({4'-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)naphthalene-2,7-disulfonatetetrasodium 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

Show more names

Tetrasodium 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulphonato-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)- 4-yl)azo)naphthalene-2,7-disulphonate5-Amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]azo]-2,7-naphthalenedisulfonic acid tetrasodium salt

Database identifiers

CAS: 68084-09-3
PubChem CID: 106533
DTXSID: DTXSID8071069
EC Number: 268-421-4

Properties

Computed structural properties

Topological polar surface area: 397 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 21
Rotatable bonds: 7
Heavy atoms: 63
Formal charge: 0
Complexity: 1,930

Physicochemical properties

EPA Substance Registry System: 2 · 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt (68084-09-3)
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.

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4): INACTIVE

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