Basic information
- CAS
26694-69-9- Standard SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C.CCOS(=O)(=O)[O-]- InChIKey
JQMYOJYEBJFAHA-UHFFFAOYSA-M- Molecular formula
- C28H31N2O3.C2H5O4S
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.22432267
Names & identifiers
- Preferred name
- Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)
- IUPAC
- [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;ethyl sulfate
- English name
- 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate
- Molecular formula
- C30H36N2O7S
- Molecular weight
- 568.69
Names & synonyms
EINECS 247-906-4Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfateDTXSID70744009-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphateXanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphateXanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfateXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)RefChem:902296DTXCID7037551Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate247-906-4
Show more names
26694-69-99-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulfateJQMYOJYEBJFAHA-UHFFFAOYSA-MNS000842879-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthen-10-ium ethyl sulfate
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 926
Experimental & physicochemical properties
Physical DescriptionWet Solid
Physicochemical properties
- EPA Substance Registry System
- 9 · Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (26694-69-9)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 400 · H400-H410-H301-H318
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
- 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.
GHS classification
GHS Classification
Danger
H301 (86.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (86.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- Hazard statements
- H400-H410-H301-H318
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 27,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
General Manufacturing InformationXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1): ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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