Basic information
- Name:
Pigment Red 81
- CAS No.:
12224-98-5
- Molecular Structure:
- Formula:
- C112H126MoN8O23PW
- Molecular Weight:
- 2261.984461
- Deleted CAS:
- 12238-18-5|12657-22-6|1326-01-8|57449-56-6|95917-90-1
- Synonyms:
- Toyo Ultra Rose R;Fast Rose 40;Fast Rose 44;C.I. Pigment Red 81;Rhodamine Lake Y;Siegle Pink Extract D 443;Symuler Rhodamine Y Toner F;Fast Pink Toner;DR081-66A;Pink 6G;Fanal Pink D 4830;Fast Pink Lake;Rhodamine Y;Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6- bis(ethylamino)-2,7-dimethyl-,molybdatetungstatephosphate;Fast Pink Lake 6G;Fanal Pink;Seika Light Rose R 40;
- EINECS:
- 235-424-7
- Solubility:
- Slightly soluble in water
- Appearance:
- Dark pink powder
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Chemistry
Molecular Structure of Pigment Red 81 (CAS NO.12224-98-5):
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Empirical Formula: C112H126MoN8O23PW
Molecular Weight: 2262.9919
H bond acceptors: 31
H bond donors: 12
Freely Rotating Bonds: 35
Polar Surface Area: 457.03Å2
EINECS: 235-424-7
Product Categories: Dyes and Pigments
SMILES: CCOC(=O)c1ccccc1c3c4cc(C)c(NCC)cc4[o+]c2cc(NCC)c(C)cc23.CCOC(=O)c1ccccc1c3c4cc(C)c(NCC)cc4[o+]c2cc(NCC)c(C)cc23.CCOC(=O)c4ccccc4c1c3cc(C)c(NCC)cc3[o+]c2cc(NCC)c(C)cc12.[O-][Mo](=O)=O.[O-]P([O-])(=O)OO [W](O)(=O)=O.CCOC(=O)c1ccccc1c3c4cc(C)c(NCC)cc4[o+]c2cc(NCC)c(C)cc23
InChI: InChI=1/4C28H31N2O3.Mo.H3O5P.H2O.5O.W.H/c4*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;1-5-6(2,3)4;;;;;;;;/h4*9-16,29-30H,6-8H2,1-5H3;;1H,(H2,2,3,4);1H2;;;;;;;/q4*+1;;;;;;;;-1;+2;/p-4/r4C28H31N2O3.HMoO3.H3O8PW/c4*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3)4;1-9(2,3)7-8-10(4,5)6/h4*9-16,29-30H,6-8H2,1-5H3;1H;4H,(H2,1,2,3)/q4*+1;-1;/p-2
Specification
Pigment Red 81 , with CAS number of 12224-98-5, can be called 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-xanthylium, molybdatetungstatephosphate . It is a dark pink powder, be slightly soluble in water.