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50326-33-5

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Basic Information
CAS No.: 50326-33-5
Name: Pigment Red 243
Molecular Structure:
Molecular Structure of 50326-33-5 (Pigment Red 243)
Formula: 2(C25H19ClN3O6S).Ba
Molecular Weight: 1187.23
Synonyms: Benzenesulfonicacid,4-chloro-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]azo]-5-methyl-,barium salt (2:1) (9CI);C.I. 15910;C.I. Pigment Red 243;Pigment Red 243;
EINECS: 256-543-0
PSA: 297.72000
LogP: 14.48280
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Specification

The IUPAC name of Pigment Red 243 is barium(2+); 4-chloro-2-[(2Z)-2-[3-[(2-methoxyphenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]-5-methylbenzenesulfonate. With the CAS registry number 50326-33-5, it is also named as 2-Naphthalenecarboxamide, 3-hydroxy-4-((5-chloro-4-methyl-2-sulfophenyl)azo)-N-(2-methoxyphenyl)-, barium salt (2:1). And Pigment Red 243 is used to color plastic. It influences the contraction of polymer in HDPE, so it is used for coloring LDPE.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 18; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 14; (4)Rotatable Bond Count: 10; (5)Tautomer Count: 285; (6)Exact Mass: 1186.041859; (7)MonoIsotopic Mass: 1186.041859; (8)Topological Polar Surface Area: 291; (9)Heavy Atom Count: 73; (10)Complexity: 996; (11)Defined Bond StereoCenter Count: 2; (12)Covalently-Bonded Unit Count: 3.

People can use the following data to convert to the molecule structure.
1. SMILES: [Ba+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O;
2. InChI: InChI=1/2C25H20ClN3O6S.Ba/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2.