disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate

• CAS: 12220-64-3
• Catalog Number: ACM12220643
• Category: Acid Dyes
• Molecular Weight: 601.34742
• Molecular Formula: C₂₀H₁₄Cl₂N₄O₇S₂.2Na
• Synonyms: disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate;1-Naphthalenesulfonic acid, 2-1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-ylazo-, disodium salt;2-[[1-(2,5
• IUPAC Name: disodium 2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
• Canonical SMILES: CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
• InChI Key: KRVDIUOUSKADMQ-UHFFFAOYSA-L
• Density: g/cm³
• Appearance: yellow powder
• EC Number: 235-409-5
• Exact Mass: 599.93200
• H-Bond Acceptor: 10
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The molecular formula is C20H12Cl2N4Na2O7S2.

What are some synonyms for disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

Some synonyms include disodium;2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate and 1-Naphthalenesulfonic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, disodium salt.

What is the molecular weight of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The molecular weight is 601.3 g/mol.

What is the IUPAC name of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The IUPAC name is disodium;2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate.

What is the Canonical SMILES representation of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The Canonical SMILES is CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].

How many hydrogen bond acceptor counts are present in the molecule?

There are 10 hydrogen bond acceptor counts in the molecule.

What is the exact mass of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The exact mass is 599.9319850 g/mol.

How many rotatable bond counts are there in the molecule?

There are 3 rotatable bond counts.

What is the InChI key of disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate?

The InChI key is KRVDIUOUSKADMQ-UHFFFAOYSA-L.

What is the topological polar surface area of the compound?

The topological polar surface area is 189 Å2.