Basic information
- CAS
6373-07-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1- InChIKey
CELKVAQKCIJCLK-UHFFFAOYSA-N- Molecular formula
- C28H31N2O3.C18H35O2
- Average molar mass
- 727 g/mol
- Monoisotopic mass
- 726.49717321
Names & identifiers
- Preferred name
- Rhodamine B Stearate
- IUPAC
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;octadecanoate
Names & synonyms
Rhodamine B-stearateRhodamine B StearateD and C Red No. 37AKA215D and C Red 376373-07-5D+C Red No. 37Red No. 21511970 RedCI 45170:1 (Stearate)P867J78P1YC.I. 45170:1 (Stearate)
Show more names
NSC-10476CI 45170 STEARATEDTXSID20642849-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium stearateAKA-215C.I. 45170 STEARATEXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoateEINECS 228-908-4
Database identifiers
- CAS
6373-07-5- PubChem CID
- 61398
- DTXSID
DTXSID2064284- UNII
- P867J78P1Y
- EC Number
- 228-908-4
Properties
Computed structural properties
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,010
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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