Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
Basic information
- CAS
64381-99-3- Standard SMILES
CC(=O)[O-].CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1- InChIKey
RWYDZCISLBOUMH-UHFFFAOYSA-N- Molecular formula
- C28H31N2O3.C2H3O2
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.24677219
Names & identifiers
- Preferred name
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
- IUPAC
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium acetate
- English name
- 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate
- Molecular formula
- C30H34N2O5
- Molecular weight
- 502.61
Names & synonyms
Rhodamine B acetate64381-99-39-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetateGF4QL1R87HDTXSID8070091Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetateXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)RefChem:179233DTXCID4044296264-859-5EINECS 264-859-5UNII-GF4QL1R87H
Show more names
AKA214CI 45170, ACETATESCHEMBL29510237AKA-214C.I. 45170, ACETATED&C RED NO. 20 (DELISTED)DB-220057NS00019404
Database identifiers
- CAS
64381-99-3- PubChem CID
- 65230
- DTXSID
DTXSID8070091- UNII
- GF4QL1R87H
- EC Number
- 264-859-5
Properties
Computed structural properties
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 836
Physicochemical properties
- Boiling point
- 88 · 88-275℃[at 101 325 Pa]
- Density
- 1.082 · 1.082-1.1[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 1.162 · 1.162-381808mg/L at 25℃
- LogP
- 3.078 at · 3.078 at 25℃
- FDA UNII
- 4 QL1R87H · GF4QL1R87H
- EPA Substance Registry System
- 9 · Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (64381-99-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H411
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 9% (14 of 155) of reports.
Danger
H318 (20.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate
REACH registered substance: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate (EC: 264-859-5)
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate: 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 CategoriesEye Dam. 1 (20.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H411
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Uses & manufacturing
General Manufacturing InformationXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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