Basic Red 1:1
Basic information
- CAS
12238-65-2- Standard SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.[Cl-]- InChIKey
GOVUVIWZMYRXMY-BTCGTBLPSA-N- Molecular formula
- C27H29N2O3.Cl
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1866705
Names & identifiers
- Preferred name
- Basic Red 1:1
- IUPAC
- ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride
- English name
- C.I. Basic Red 1:1
- Molecular formula
- C27H29ClN2O3
- Molecular weight
- 464.98376
Names & synonyms
Basic Red 1:1C.I. BASIC RED 1:1Rhodamine 5903,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium chlorideRHODAMINE F 4GBASONYL 48523DG89Z6G0EINECS 221-326-112238-65-2CI 45161DTXSID80883732Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, chloride (1:1)
Show more names
Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, chlorideXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride3,6-bis(Ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chlorideXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (1:1)BENZOIC ACID, 2-(6-(ETHYLAMINO)-3-(ETHYLIMINO)-2,7-DIMETHYL-3H-XANTHEN-9-YL)-, METHYL ESTER, MONOHYDROCHLORIDEBENZOIC ACID, O-(6-(ETHYLAMINO)-3-(ETHYLIMINO)-2,7-DIMETHYL-3H-XANTHEN-9-YL)-, METHYL ESTER, HYDROCHLORIDERefChem:561090BASIC RED 1:1 [INCI]
Database identifiers
- CAS
12238-65-2、3068-39-1- PubChem CID
- 65193
- DTXSID
DTXSID80883732- UNII
- 23DG89Z6G0
- EC Number
- 221-326-1、602-705-4
Properties
Computed structural properties
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 807
Experimental & physicochemical properties
Physical DescriptionDry Powder; CBI
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 0.3% (1 of 301) of reports.
Danger
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 301 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (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)
REACH registered substance: 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride (EC: 221-326-1)
Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.7%)
Acute toxicity (ingestion) - category 4
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Consumer UsesPigment
Industry UsesPigment
Household ProductsInformation on 1 consumer products that contain Basic Red 1:1 in the following categories is provided:
General Manufacturing Information
Printing Ink Manufacturing
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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