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12239-15-5

Basic Information
CAS No.: 12239-15-5
Name: Acid Yellow 49
Article Data: 1
Molecular Structure:
Molecular Structure of 12239-15-5 (Acid Yellow  49)
Formula: C16H13Cl2N5O3S
Molecular Weight: 426.283
Synonyms: Benzenesulfonicacid, 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro- (9CI);C.I. Acid Yellow 49 (8CI);Acid YellowGR;Ambinyl Yellow L 4G;Atanyl Yellow 4NGL;BestAcid Yellow NFG;Covanyl Yellow FG;Derma Fur Yellow 3G200;Everacid Yellow 4NGL;Everacid Yellow NFG;HispacidYellow GRL;Kenamide Yellow KFGL;Multacid Yellow GR;Supracen Yellow GR;Triacid Fast Yellow 4GL;Weak Acid Yellow GR;
EINECS: 235-473-4
Density: 1.62 g/cm3
Boiling Point: 613.74℃[at 101 325 Pa]
Solubility: 273.4μg/L at 25℃
Appearance: yellow powder
PSA: 131.31000
LogP: 6.39380
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Chemistry

IUPAC Name: 2,5-dichloro-4-[(2Z)-2-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene) hydrazinyl]benzenesulfonic acid 
Empirical Formula: C16H13Cl2N5O3S
Molecular Weight: 426.2771g/mol
EINECS: 235-473-4 
Structure of Benzenesulfonic acid,4-[2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichloro- (CAS NO.12239-15-5):

Index of Refraction: 1.719
Molar Refractivity: 103.29 cm3
Molar Volume: 261.5 cm3
Polarizability: 40.94×10-24cm3
Surface Tension: 65.8 dyne/cm
Density: 1.62 g/cm3 
Product Categories: Organics 
Canonical SMILES: CC1=NN(C(=N)C1=NNC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C3=CC=CC=C3
Isomeric SMILES: CC\1=NN(C(=N)/C1=N\NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C3=CC=CC=C3
InChI: InChI=1S/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8,19-20H,1H3,(H,24,25,26)/b19-16?,21-15-
InChIKey: OWWDROWBWSAMNY-QBGOPNERSA-N

Specification

  Benzenesulfonic acid,4-[2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichloro- , its cas register number is 12239-15-5. It also can be called 2,5-Dichloro-4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)benzenesulfonic acid ;
 5-Amino-1-phenyl-4-((2,5-dichloro-4-sulfophenyl)azo)-3-methyl-pyrazole ; C.I. Acid Yellow 49 .