3,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid
Basic information
- CAS
78925-22-1- Standard SMILES
Nc1cc(S(=O)(=O)O)c(Nc2ccc3c(c2S(=O)(=O)O)Oc2c(Cl)c4c(c(Cl)c2=N3)Oc2c(ccc(Nc3cc(S(=O)(=O)O)c(N)cc3S(=O)(=O)O)c2S(=O)(=O)O)N=4)cc1S(=O)(=O)O- InChIKey
KTAOIBPHDVTOGV-UHFFFAOYSA-N- Molecular formula
- C30H20Cl2N6O20S6
- Average molar mass
- 1,047.8 g/mol
- Monoisotopic mass
- 1,045.8433695
Names & identifiers
- Preferred name
- 3,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid
- IUPAC
- 3,10-bis(4-amino-2,5-disulfoanilino)-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
Names & synonyms
78925-22-1EINECS 279-008-33,10-Bis((4-amino-2,5-disulphophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonic acidDTXSID002293753,10-bis[(4-Amino-2,5-disulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acidRefChem:484804DTXCID20151866279-008-3KTAOIBPHDVTOGV-UHFFFAOYSA-NNS000380133,10-Bis(4-amino-2,5-disulfoanilino)-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
Database identifiers
- CAS
78925-22-1- PubChem CID
- 53471952
- DTXSID
DTXSID00229375- EC Number
- 279-008-3
- Nikkaji
- J319.195H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 496 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 10
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 2,550
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
This chemical does not meet GHS hazard criteria for 100% (16 of 16) of all reports.
Not Classified
Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3,10-bis[(4-amino-2,5-disulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid (EC: 279-008-3)
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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