Basic information
- CAS
62669-77-6- Standard SMILES
CNc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[NH+]C)cc-3oc2c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
NDZSJVYEQJETNT-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O7
- Average molar mass
- 458.8 g/mol
- Monoisotopic mass
- 458.0880786
Overview
See other relationships...
Names & identifiers
- Preferred name
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
- IUPAC
- [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium perchlorate
- English name
- Rhodamine 116 perchlorate
- Molecular formula
- C22H19N2O3.ClO4
- Molecular weight
- 458.85
Names & synonyms
Rhodamine 116Rhodamine 116 perchlorateXanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorateRh 11662669-77-6EINECS 263-689-99-(2-Carboxyphenyl)-3,6-bis(methylamino)xanthylium perchlorate2-(6-(Methylamino)-3-(methylimino)-3H-xanthen-9-yl)benzoic acid monoperchlorateBenzoic acid, 2-(6-(methylamino)-3-(methylimino)-3H-xanthen-9-yl)-, monoperchlorateXanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (1:1)DTXSID5069623SBB059237
Show more names
rh116loraterhodamine116RHODAMIN 116 PERCHLORATERhodamine 116 perchlorate,pure,laser gradeRHODAMINE 116 PERCHLORATE, LASER GRADE, PURERHODAMINE 116 PERCHLORATE, FOR FLUOR-ESC ENCE9-(2-carboxyphenyl)-3,6-bis(methylamino)xanthyliumperchlorate[9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium
AKOS024306952[9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium;perchlorateST503076339-(2-Carboxyphenyl)-3,6-bis(methylamino)xanthen-10-ium perchlorate
Database identifiers
- CAS
62669-77-6- PubChem CID
- 65221
- DTXSID
DTXSID5069623
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
Physicochemical properties
- EPA Substance Registry System
- 9 · Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate (62669-77-6)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- RTECS
- 550000 · ZE0550000
- F
- 3 · 3
- 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
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZE0550000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 22-24/25
Chemistry & industry
Suppliers2 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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