HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)

HCID 175276
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
72927-91-4
Standard SMILES
COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])n1.[Na+].[Na+].[Na+]
InChIKey
FIFKTDSXJNRBOT-UHFFFAOYSA-K
Molecular formula
C22H15ClN7Na3O10S3
Average molar mass
738 g/mol
Monoisotopic mass
736.9424138

Names & identifiers

Preferred name
1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)
IUPAC
trisodium;2-[[4-chloro-6-[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
English name
trisodium 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate
Molecular formula
C22H15ClN7Na3O10S3
Molecular weight
738.01271

Names & synonyms

72927-91-4EINECS 277-032-9DTXSID708902581,4-Benzenedisulfonic acid, 2-((4-chloro-6-((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, trisodium salt1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)-s-triazin-2-yl)amino)-, trisodium salt1,4-Benzenedisulfonic acid, 2-((4-chloro-6-((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, trisodium salt1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-[[2-methoxy-4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:3)RefChem:73081DTXCID501079194FIFKTDSXJNRBOT-UHFFFAOYSA-KNS00060510
Show more names
2-[4-Chloro-6-[2-methoxy-4-(3-sulfophenylazo)anilino]-1,3,5-triazin-2-ylamino]-1,4-benzenedisulfonic acid trisodium salt2-[4-Chloro-6-[2-methoxy-4-(m-sodiosulfophenylazo)anilino]-1,3,5-triazin-2-ylamino]-1,4-benzenedisulfonic acid disodium salttrisodium 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate
Trisodium 2-((4-chloro-6-((2-methoxy-4-((3-sulphonatophenyl)azo)phenyl)amino)-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonateTrisodium 2-[(4-chloro-6-{2-methoxy-4-[(3-sulfonatophenyl)diazenyl]anilino}-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonate

Database identifiers

CAS
72927-91-4
PubChem CID
175276
DTXSID
DTXSID70890258
EC Number
277-032-9
Nikkaji
J111.339I

Properties

Computed structural properties

Topological polar surface area
293 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
17
Rotatable bonds
7
Heavy atoms
46
Formal charge
0
Complexity
1,250

Physicochemical properties

EPA Substance Registry System
1 · 1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, trisodium salt (72927-91-4)
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 Information1,4-Benzenedisulfonic acid, 2-[[4-chloro-6-[[2-methoxy-4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:3): INACTIVE

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

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