Basic Red 1:1 supplier | CasNO.3068-39-1

Name
Basic Red 1:1
EINECS 221-326-1
CAS No. 3068-39-1
Density 1.27[at 20℃]
Solubility 18.9g/L at 20℃
Melting Point
Formula C₂₇H₂₉N₂O₃^.Cl
Boiling Point 593.8ºC at 760 mmHg
Molecular Weight 464.992
Flash Point 312.9ºC
Transport Information
Appearance bright red crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, methylester, monohydrochloride (8CI);Benzoic acid,o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, methyl ester,hydrochloride (7CI);Xanthylium,3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (9CI);Basonyl Red 481;Basonyl Red 485;C.I. 45161;C.I. Basic Red1:1;Rhodamine 5GLD;Rhodamine F 4G;Rhodamine F4GK;
PSA 63.83000
LogP 6.83540

Basic Red 1:1 Specification

The IUPAC name of 3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride is ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride. With the CAS registry number 3068-39-1 and EINECS 221-326-1, it is also named as Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, chloride. The product's category is Dyes and Pigments. It is used as pigment in the production of senior ink.

The other characteristics of 3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 63.5 Å²; (5)Rotatable Bond Count: 6; (6)Tautomer Count: 2; (7)Exact Mass: 464.186671; (8)MonoIsotopic Mass: 464.186671; (9)Topological Polar Surface Area: 61.5; (10)Heavy Atom Count: 33; (11)Formal Charge: 0; (12)Complexity: 807; (13)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].COC(=O)c4ccccc4c1c3cc(C)c(NCC)cc3[o+]c2cc(NCC)c(C)cc12
2. InChI:InChI=1/C27H29N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28-29H,6-7H2,1-5H3;1H/q+1;/p-1
3. InChIKey:WDTZNHRKHNKDOU-REWHXWOFAY

Product Name

Basic Red 1:1

Basic Red 1:1 Specification

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