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1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-

HCID 18576
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Basic information

CAS
25738-24-3
Standard SMILES
Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIKey
XFUDRSZJCBDNPN-UHFFFAOYSA-N
Molecular formula
C35H28N6O13S4
Average molar mass
868.9 g/mol
Monoisotopic mass
868.05971966

Names & identifiers

Preferred name
1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-
IUPAC
3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid

Names & synonyms

1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-DTXSID50671321,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo))bis-1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-3,3'-(Carbonylbis(imino(2-methyl-4,1-phenylene)azo))bisnaphthalene-1,5-disulphonic acid3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonic acid1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis-3,3'-[Carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[1,5-naphthalenedisulfonic acid]3,3'-(Carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl))bis(1,5-naphthalenedisulfonic acid)RefChem:417396DTXCID9037373247-220-5
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25738-24-3Direct Fast Yellow RC.I. DIRECT YELLOW 50Sirius Light Yellow RDirect Fast Yellow LRDirect Lightfast Yellow KSirius Light Yellow R ExtraNSC47763

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
342 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
17
Rotatable bonds
10
Heavy atoms
58
Formal charge
0
Complexity
1,840

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis-: INACTIVE

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Compound notes

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

Database identifiers

CAS
25738-24-3
PubChem CID
18576
DTXSID
DTXSID5067132
UNII
XH8RXW7FF7
EC Number
247-220-5
Nikkaji
J287.309E