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5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4)

HCID 104686
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
54077-86-0
Standard SMILES
O=S(=O)([O-])Oc1c2ccccc2c(OS(=O)(=O)[O-])c2c3c(c(Cl)cc12)Nc1c(c(Cl)cc2c(OS(=O)(=O)[O-])c4ccccc4c(OS(=O)(=O)[O-])c12)N3.[K+].[K+].[K+].[K+]
InChIKey
XRXUZVMKPYEWDV-UHFFFAOYSA-J
Molecular formula
C28H12Cl2K4N2O16S4
Average molar mass
988 g/mol
Monoisotopic mass
985.6994983

Names & identifiers

Preferred name
5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4)
IUPAC
tetrapotassium;(15,30-dichloro-5,20,27-trisulfonatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-12-yl) sulfate
English name
tetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)
Molecular formula
C28H12Cl2K4N2O16S4
Molecular weight
987.95788

Names & synonyms

EINECS 258-962-45,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis(hydrogen sulfate) (ester), tetrapotassium saltDTXSID40689075,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4)5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis[hydrogen sulfate] (ester), tetrapotassium saltRefChem:528362DTXCID804158554077-86-0tetrapotassium 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrayl tetrasulfateTetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)XRXUZVMKPYEWDV-UHFFFAOYSA-JNS00032940
Show more names
Tetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulfate)7,16-Dichloro-6,15-dihydro-5,9,14,18-anthrazinetetrol tetrakis(sulfuric acid potassium) salt5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-,tetrakis(hydrogen sulfate)(ester),tetrapotassium salt

Properties

Computed structural properties

Topological polar surface area
323 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
18
Rotatable bonds
4
Heavy atoms
56
Formal charge
0
Complexity
1,600

Physicochemical properties

EPA Substance Registry System
5 · 5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis(hydrogen sulfate) (ester), tetrapotassium salt (54077-86-0)
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 InformationChemical: 5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, tetrakis[hydrogen sulfate] (ester), tetrapotassium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4): 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
5,9,14,18-anthrazinetetrol,7,16-dichloro-6,15-dihydro-, tetrakis(hydrogen sulfate) (ester),tetrapotassium salt

Database identifiers

CAS
54077-86-0
PubChem CID
104686
DTXSID
DTXSID4068907
EC Number
258-962-4
Nikkaji
J279.574D