3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate
Basic information
- CAS
73398-89-7- Standard SMILES
CCN(CC)c1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=[N+](CC)CC)cc-3oc2c1.CCN(CC)c1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl][Zn-2]([Cl])([Cl])[Cl]- InChIKey
NILXVRMPJNDXNM-UHFFFAOYSA-J- Molecular formula
- C58H66Cl4N4O6Zn
- Average molar mass
- 1,122.4 g/mol
- Monoisotopic mass
- 1,118.302788
Overview
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Names & identifiers
- Preferred name
- 3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate
- IUPAC
- bis([6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium);tetrachlorozinc(2-)
- English name
- Basic Violet 11:1
- Molecular formula
- C29H33Cl4N2O3Zn-
- Molecular weight
- 664.77
Names & synonyms
3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincateXanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1)Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, (T-4)-tetrachlorozincate(2-) (2:1)RefChem:487449DTXCID601839252Xanthylium, 3,6-bis(diethylamino)-9-2-(methoxycarbonyl)phenyl-, (T-4)-tetrachlorozincate(2-) (2:1)DTXSID50879783Basic Violet 11:173398-89-7[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;tetrachlorozinc(2-)4PG1Z300FR
Show more names
asicViolet11:1Basic Violet 11:1 ISO 9001：2015 REACHC.I. Basic Violet 11:1 tetrachlorozincate(1-)3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthyliu...Xanthylium,3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-,(T-4)-tetrachlorozincateXanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 845
Experimental & physicochemical properties
Physical DescriptionDry Powder; Gas Vapor; Wet Solid; Other Solid
Physicochemical properties
- Density
- 1.31 · 1.31[at 20℃]
- Water Solubility
- 22.1 g/L · 22.1g/L at 20℃
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChIKey
- JLJFMVKPMRVLPD-UHFFFAOYSA-J
- SMILES
- [Zn+2]([Cl-])([Cl-])([Cl-])[Cl-].C(C1C=CC=CC=1C1C2=CC=C(N(CC)CC)C=C2[O+]=C2C=C(N(CC)CC)C=CC=12)(=O)OC
- LogP
- 1 at · 1 at 20℃
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 4 PG1Z300FR · 4PG1Z300FR
- EPA Substance Registry System
- 3 · Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1) (73398-89-7)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
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 (17.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 765 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1) 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)
REACH registered substance: 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate (EC: 277-459-0)
Xanthylium, 3,6-bis(diethylamino)-9-2-(methoxycarbonyl)phenyl-, (T-4)-tetrachlorozincate(2-) (2:1): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (17.1%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3143
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- hazard_class
- 6.1(a)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 54,365 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesDye
General Manufacturing Information
Paint and Coating Manufacturing
Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1): ACTIVE
Applications
UsesBasic violet 11:1 can be used for acrylic fibre dyeing and as an intermediate for fluorescent pigments.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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