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2-Naphthalenesulfonic acid, 6-(2-(2,4-dihydroxy-3-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-

HCID 135854075
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
82599-59-5
Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3ccc(N=Nc4ccc(O)c(N=Nc5cc(S(=O)(=O)O)cc([N+](=O)[O-])c5O)c4O)cc3c2O)cc1
InChIKey
WZASHSRORGLPMT-UHFFFAOYSA-N
Molecular formula
C28H18N8O14S2
Average molar mass
754.6 g/mol
Monoisotopic mass
754.03838962

Names & identifiers

Preferred name
2-Naphthalenesulfonic acid, 6-(2-(2,4-dihydroxy-3-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-
IUPAC
6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
English name
6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid
Molecular formula
C28H18N8O14S2
Molecular weight
754.62

Names & synonyms

EINECS 280-004-92-Naphthalenesulfonic acid, 6-((2,4-dihydroxy-3-((2-hydroxy-3-nitro-5-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)-2-Naphthalenesulfonic acid, 6-(2-(2,4-dihydroxy-3-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-2-Naphthalenesulfonic acid, 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-2-Naphthalenesulfonic acid, 6-[2-[2,4-dihydroxy-3-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-RefChem:47681682599-59-5DTXSID7072880WZASHSRORGLPMT-UHFFFAOYSA-NNS000382166-((2,4-Dihydroxy-3-((2-hydroxy-3-nitro-5-sulphophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2-sulphonic acid6-({2,4-Dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Show more names
6-[[2,4-Dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-2-naphthalenesulfonic acid6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid

Database identifiers

CAS
82599-59-5
PubChem CID
135854075
DTXSID
DTXSID7072880
EC Number
280-004-9
Nikkaji
J320.418I

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
372 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
20
Rotatable bonds
8
Heavy atoms
52
Formal charge
0
Complexity
1,590

Physicochemical properties

Density
1.875 · 1.875±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
-0.665 · -0.665±0.40(predicted)
EPA Substance Registry System
2 · 2-Naphthalenesulfonic acid, 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]- (82599-59-5)
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, 6-[2-[2,4-dihydroxy-3-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-: INACTIVE

Suppliers1 total

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes