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C.I. Pigment Red 57 calcium salt (7CI) (5281-04-9)

Identification
Name:C.I. Pigment Red 57 calcium salt (7CI)
Synonyms:2-Naphthalenecarboxylicacid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1) (9CI);C.I. Pigment Red 57 calcium salt (7CI);Ariabel Rubicon 300501;Brilliant Carmine 4B;Dainichi Brilliant Carmine 6B;ECR 101;Eljon Rubine 5BP;Eljon Rubine 6BP;C Red No 7;Fast Rubine4B;Flexiverse RFD 9587;GraphtolRubine BP;Irgalite Red 4BP;Irgalite Rubine 4BL;Irgalite RubineL 4BD;Irgalite Rubine L 4BF;Irgalite Rubine L 4BJ;Irgalite Rubine L 4BY;IrgaliteRubine LPBC;Isol Bona Magenta 4BY;Isol Bona Rubine 4BK;Isol Ruby BKS Calcium Salt;Japan RedNo. 202;KET Red 307;Kromon Super Crimson;LR 1392;Lake Rubine BC;Lake Rubine SK;LatexolRubine B;Lionol Red 6B-FG4200;Lionol Red 6B-FG4219X;Lionol Red 6B-FG4297G;Lionol Red 6B4290G;Lionol Red Carmine6B-FG4200;Lionol Red FG 4213;
CAS:5281-04-9
EINECS: 226-109-5
Molecular Formula: C18H12N2O6S.Ca
Molecular Weight: 424.44068
InChI: InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,19H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-16-;
Molecular Structure: (C18H12N2O6S.Ca) 2-Naphthalenecarboxylicacid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1) (9CI);C....
Properties
Transport: OTH
Density:g/cm3
Water Solubility:insoluble in ethanol, slightly soluble in hot water, insoluble in cold water
Solubility:PRINTING RESISTANCE
Appearance:red powder
Specification:

The IUPAC name of?Pigment Red 57:1 is?calcium (4Z)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate. With the?CAS registry number 5281-04-9, it is also named as?2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt;?D & C Red no. 7.?The other registry numbers?are 106008-82-6,?11145-41-8,?116357-55-2,?116711-94-5,?12238-33-4,?12238-35-6,?12238-36-7,?12238-46-9,?12238-47-0,?128282-14-4,?1325-10-6,?149003-64-5,?217821-04-0,?37340-13-9,?39340-05-1,?53028-84-5,?53612-29-6,?57176-64-4,?57917-29-0,?60748-28-9 and 69458-81-7.?In addition,?ithis chemical?is?red powder?which is insoluble in ethanol,?slightly soluble in hot water, insoluble in cold water.?Its absorption maximum lies at about 442 nm when dissolved in dimethylformamide.

The other characteristics of this product can be summarized as:?(1)#H bond acceptors: 8; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 18; (6)Exact Mass: 424.004198; (7)MonoIsotopic Mass: 424.004198; (8)Topological Polar Surface Area: 147; (9)Heavy Atom Count: 28; (10)Complexity: 763; (11)Defined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 2.

Uses OF Pigment Red 57:1: It is not only used?to dye?paint, ink, color paint and watercolor, but also?used for coloring rubber, plastic cords, and household chemical products. When used as a food dye, it has E number E180. It is used to color cheese rind as well as a component in some lip balms. It is banned in some countries.

People can use the following data to convert to the molecule structure.?
1. SMILES: [Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C([O-])=O)c1O;
2. InChI: InChI=1/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;.

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