-
Name
Potassium 4-acetoacetylaminobenzenesulfonate
- EINECS 274-569-0
- CAS No. 70321-85-6
- Density 1.549[at 20℃]
- Solubility 780g/L at 20℃
- Melting Point
- Formula C10H10KNO5S
- Boiling Point 375℃[at 101 325 Pa]
- Molecular Weight 295.357
- Flash Point
- Transport Information
- Appearance white to yellowish powder
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzenesulfonicacid, 4-[(1,3-dioxobutyl)amino]-, monopotassium salt (9CI);PotassiumN-(acetoacetyl)sulfanilate;Potassium 4-acetoacetylaminobenzenesulfonate;Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-, monopotassium salt;N-(Acetoacetyl)sulfanilic acid, potassium salt;4-(N-Acetylacetamido)-benzenesulfonic acid potassium salt;4-Acetoacetsulfanilic acid potassium salt;
- PSA 111.75000
- LogP 1.66210
Potassium 4-acetoacetylaminobenzenesulfonate Specification
The IUPAC name of Potassium 4-acetoacetylaminobenzenesulfonate is potassium 4-(3-oxobutanoylamino)benzenesulfonate. With the CAS registry number 70321-85-6, it is also named as N-(Acetoacetyl)sulfanilic acid, potassium salt. The product is white to yellowish powder, which can be used as an intermediate for the manufacture of organic pigments and dyestuffs. In addition, its molecular formula is C10H10KNO5S and molecular weight is 295.35.
The other characteristics of Potassium 4-acetoacetylaminobenzenesulfonate can be summarized as: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 8; (5)Exact Mass: 294.991675; (6)MonoIsotopic Mass: 294.991675; (7)Topological Polar Surface Area: 112; (8)Heavy Atom Count: 18; (9)Complexity: 395; (10)EINECS: 274-569-0.
People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].O=S([O-])(=O)c1ccc(NC(=O)CC(=O)C)cc1
(2)InChI: InChI=1/C10H11NO5S.K/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16);/q;+1/p-1
(3)InChIKey: FNLKZYBTJKUMQM-REWHXWOFAO
(4)Std. InChI: InChI=1S/C10H11NO5S.K/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16);/q;+1/p-1
(5)Std. InChIKey: FNLKZYBTJKUMQM-UHFFFAOYSA-M
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