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1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4'-(2-(4-hydroxyphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-

HCID 67018
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
117-33-9
Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)cc5)cc4)cc3)c(O)ccc2c1
InChIKey
GWPGBRYJVGKLHH-UHFFFAOYSA-N
Molecular formula
C28H20N4O8S2
Average molar mass
604.6 g/mol
Monoisotopic mass
604.07225596

Names & identifiers

Preferred name
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4'-(2-(4-hydroxyphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-
IUPAC
7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
English name
7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid
Molecular formula
C28H20N4O8S2
Molecular weight
604.61

Names & synonyms

EINECS 204-184-51,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4'-((4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4'-(2-(4-hydroxyphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-RefChem:415372117-33-97-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid7-Hydroxy-8-((4'-((4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)naphthalene-1,3-disulphonic acidQZF62Z8HMMDTXSID5059452
Show more names
4-(4-Hydroxyphenylazo)-4'-(2-hydroxy-6,8-disulfo-1-naphtylazo)-1,1'-biphenyl2-Hydroxy-1-[4'-(4-hydroxyphenylazo)-1,1'-biphenyl-4-ylazo]-6,8-naphthalenedisulfonic acid

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
215 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
7
Heavy atoms
42
Formal charge
0
Complexity
1,160

Physicochemical properties

EPA Substance Registry System
1 · 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]- (117-33-9)
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.

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-: INACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
7-Hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-1,1'-biphenyl-4-yl]azo]-1,3-naphthalenedisulfonic acid
7-Hydroxy-8-((4'-((4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)naphthalene-1,3-disulfonic acid
GWPGBRYJVGKLHH-UHFFFAOYSA-N7-hydroxy-8-[[4/'-[(4-hydroxyphenyl)azo][1,1/'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acidNS000417367-Hydroxy-8-[[4'-[(p-hydroxyphenyl)azo]-4-biphenylyl]azo]-1,3-naphthalenedisulfonic acid7-Hydroxy-8-({4'-[(4-hydroxyphenyl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)naphthalene-1,3-disulfonic acid7-Hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-1,3-naphthalenedisulfonic acid

Database identifiers

CAS
117-33-9
PubChem CID
67018
DTXSID
DTXSID5059452
UNII
QZF62Z8HMM
EC Number
204-184-5
Nikkaji
J53.404H