Basic information
- CAS
65392-81-6- Standard SMILES
CCN(CC)c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.[Na+]- InChIKey
QSDRVNJWBDNNPE-UHFFFAOYSA-M- Molecular formula
- C29H29N2NaO5
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 508.19741631
Names & identifiers
- Preferred name
- Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)
- IUPAC
- sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate
Names & synonyms
Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium saltEINECS 265-730-6DTXSID7042512Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, sodium saltXanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, monosodium saltHydrogen 9-(2,4-dicarboxylatophenyl)-3,6-bis(diethylamino)xanthylium, sodium saltRefChem:902289DTXCID5022512265-730-665392-81-6QSDRVNJWBDNNPE-UHFFFAOYSA-M
Show more names
Sodium 4-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzene-1,3-dicarboxylate
Database identifiers
- CAS
65392-81-6- PubChem CID
- 65231
- DTXSID
DTXSID7042512
Properties
Computed structural properties
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 925
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 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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