1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo- supplier

Name
3,4-dihydro-3,4-dioxonaphthalene-1-sulphonic acid
EINECS 218-184-8
CAS No. 2066-93-5
Article Data9
CAS DataBase
Density 1.68 g/cm³
Solubility
Melting Point
Formula C₁₀H₆O₅S
Boiling Point
Molecular Weight 238.221
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Naphthoquinone-4-sulfonate;
PSA 96.89000
LogP 1.76150

1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo- Specification

The 1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo-, with the CAS registry number 2066-93-5, is also known as 1,2-Naphthoquinone-4-sulfonate. Its EINECS registry number is 218-184-8. This chemical's molecular formula is C₁₀H₆O₅S and molecular weight is 238.2166. What's more, its systematic name is called 3,4-Dioxo-3,4-dihydronaphthalene-1-sulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.68; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.82; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 85.89 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 141.3 cm³; (16)Polarizability: 21.2×10^-24cm³; (17)Surface Tension: 80.6 dyne/cm; (18)Density: 1.68 g/cm³.

Uses of 1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo-: it is used to produce other chemicals. For example, it is used to produce 4-Aziridin-1-yl-[1,2]naphthoquinone.

1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo- is used to produce 4-Aziridin-1-yl-[1,2]naphthoquinone

The reaction needs 0.5 M Trisodium phosphate and solvent H₂O react for 10 min. The yield is 51%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)C/1=C/C(=O)C(=O)c2ccccc\12
(2) InChI: InChI=1/C10H6O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,(H,13,14,15)
(3) InChIKey: PZTGRDMCBZUJDL-UHFFFAOYAJ

Product Name

3,4-dihydro-3,4-dioxonaphthalene-1-sulphonic acid

1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo- Specification

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