CAS No.71832-85-4,Pigment Yellow 168 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71832-85-4
Name:	Pigment Yellow 168

Formula:	C₁₆H₁₃ClN₄O₇S.1/2Ca
Molecular Weight:	479.8845
Synonyms:	Benzenesulfonicacid, 4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-,calcium salt (2:1) (9CI);C.I. 13960;C.I. Pigment Yellow 168;C.I. PigmentYellow 68;Irgalite Yellow WGP;PY 168;
EINECS:	276-057-2
Density:	1.6[at 20℃]
Solubility:	1.697-1.7mg/L at 23℃
Appearance:	Yellow Powder
PSA:	364.58000
LogP:	9.01860

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Specification

The Benzenesulfonic acid,4-[2-[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-,calcium salt (2:1), also known as 2-((4-Sulfo-2-nitrophenyl)azo)-3-oxo-N-(2-chlorophenyl)butanamide, calcium salt (2:1), is an organic compound with the formula C₁₆H₁₃ClN₄O₇S.1/2Ca. It belongs to the product category of Organics. Its EINECS registry number is 276-057-2. With the CAS registry number 71832-85-4, its systematic name is calcium 4-[1-[(2-chlorophenyl)carbamoyl]-2-oxo-propyl]azo-3-nitro-benzenesulfonate.

Physical properties of Benzenesulfonic acid,4-[2-[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-,calcium salt (2:1): (1)#H bond acceptors: 22; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 14; (4)Polar Surface Area: 364.58 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c(c2)[N+]([O-])=O
(2)InChI: InChI=1/2C16H13ClN4O7S.Ca/c2*1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2*2-8,15H,1H3,(H,18,23)(H,26,27,28);/q;;+2/p-2
(3)InChIKey: VAIFZRVTOUVLAW-NUQVWONBAD