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
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