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6408-26-0

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Basic Information
CAS No.: 6408-26-0
Name: disodium hydrogen bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonato(3-)]chromate(3-)
Molecular Structure:
Molecular Structure of 6408-26-0 (disodium hydrogen bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonato(3-)]chromate(3-))
Formula: C34H27Cl2CrN8Na2O4
Molecular Weight: 780.51
Synonyms: Chromate(3-),bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)]-,disodium hydrogen;Chromate(3-), bis[5-chloro-3-[[4,5-dihydro-3-methyl-5-(oxo-kO)-1-phenyl-1H-pyrazol-4-yl]azo-kN1]-2-(hydroxy-kO)benzenesulfonato(3-)]-,disodium hydrogen (9CI);ChromeIntra Red R;Efdolan Red RN;Erganil Red RC;Palatine Fast Red RN;Pilate FastRed RN;Chromate(3-),bis[5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-kO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kN1]-2-(hydroxy-kO)benzenesulfonato(3-)]-, sodiumhydrogen (1:2:1);
EINECS: 229-051-9
Boiling Point: 501 °C at 760 mmHg
Flash Point: 256.8 °C
PSA: 162.51000
LogP: 8.81000
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Specification

The Acid red 180, with the CAS registry number , is also known as Disodium; 4-[(5-chloro-3-methyl-2-oxidophenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-olate; chromium(3+); hydron. It belongs to the product category of Organometallics. Its EINECS registry number is 229-051-9. This chemical's molecular formula is C34H27Cl2CrN8Na2O4 and molecular weight is 780.51. What's more, its systematic name is called Chromic; disodium; 4-chloro-2-methyl-6-(3-methyl-5-oxo-1-phenyl-pyrazol-2-id-4-yl)azo-phenolate; hydron.

Physical properties about Acid Red 180 are: (1)ACD/LogP: 4.925; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 77.29 Å2; (7)Flash Point: 256.8 °C; (8)Enthalpy of Vaporization: 79.89 kJ/mol; (9)Boiling Point: 501 °C at 760 mmHg; (10)Vapour Pressure: 1.16E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [H+].[Cr+3].[Na+].[Na+].Clc3cc(/N=N/C2=C(/[N-]N(c1ccccc1)C2=O)C)c([O-])c(c3)C.Clc3cc(/N=N/C2=C(/[N-]N(c1ccccc1)C2=O)C)c([O-])c(c3)C
(2) InChI: InChI=1S/2C17H15ClN4O2.Cr.2Na/c2*1-10-8-12(18)9-14(16(10)23)19-20-15-11(2)21-22(17(15)24)13-6-4-3-5-7-13;;;/h2*3-9H,1-2H3,(H2,19,20,21,23,24);;;/q;;+3;2*+1/p-3
(3) InChIKey: VQHWSAGRWJWMCJ-UHFFFAOYSA-K