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| CAS No.: | 5280-66-0 |
|---|---|
| Name: | Pigment Red 48:4 |
| Molecular Structure: | |
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| Formula: | C18H11ClMnN2O6S |
| Molecular Weight: | 473.75 |
| Synonyms: | C.I.Pigment Red 48, manganese(2+) salt (8CI);Manganate(1-),[4-[[5-chloro-4-methyl-2-(sulfo-kO)phenyl]azo-kN1]-3-(hydroxy-kO)-2-naphthalenecarboxylato(3-)]-, hydrogen (9CI);C.I. 15865:4;Fuji Fast Red 5R7807;Irgaplast Red BL;Lithol Fast Scarlet L 4300;LitholRed BN;Manganese Red 2B;Sanyo Tinting Red 262;Segnale Light Red DM; |
| EINECS: | 226-102-7 |
| Density: | 1.33g/cm3 |
| Boiling Point: | 649.9ºC at 760 mmHg |
| Flash Point: | 346.8ºC |
| Solubility: | 42mg/L at 23℃ |
| PSA: | 145.00000 |
| LogP: | 5.94830 |
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Specification
The Pigment Red 48:4, with the CAS registry number 5280-66-0 and EINECS registry number 226-102-7, has the systematic name of manganese(2+) hydrogen 4-[(E)-(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate (1:1:1). And the molecular formula of the chemical is C18H11ClMnN2O6S. What's more, this substance is identified in the colour index by Colour Index Constitution Number, C.I. 15865:4.
The physical properties of Pigment Red 48:4 are as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 145 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Mn+2].Clc3cc(/N=N/c2c1ccccc1cc(C([O-])=O)c2[O-])c(cc3C)S([O-])(=O)=O
(2)InChI: InChI=1/C18H13ClN2O6S.Mn/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-20+;
(3)InChIKey: FXKOYCHIRMCIOR-XSSADQODBU