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23696-28-8

Basic Information
CAS No.: 23696-28-8
Name: 2-Quinoxalinecarboxamide,N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide
Article Data: 6
Cas Database
Molecular Structure:
Molecular Structure of 23696-28-8 (2-Quinoxalinecarboxamide,N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide)
Formula: C12H13N3O4
Molecular Weight: 263.253
Synonyms: 2-(N-(2-Hydroxyethyl)karbamoyl)-3-methylchinoxalin-1,4-dioxid;N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide;BRN 0758489;
EINECS: 245-832-7
Density: 1.43 g/cm3
Melting Point: 209 °C (dec.)
Boiling Point: 343.3oC
Flash Point: >204.4oC
Solubility: soluble in hot water, slightly soluble in cold water
Appearance: Pale yellow crystalline solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-43
Safety: 36/37
Transport Information: N/A
PSA: 100.25000
LogP: 1.11820
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    CAS No.:23696-28-8 Other Names:Olaquindox MF:C12H13N3O4 Place of Origin:Hebei, China Type:Syntheses Material Intermediates Purity:99%, 99%min Brand Name:hbnj Application:Chemical/Researching usage Appearance:light yellow crystalline Powder M

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Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Specification

The IUPAC name of thsi chemical is N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide. With the CAS registry number 23696-28-8, it is also named as Olaquindox. The product's categories are food and feed additive; nitric oxide reagents; intermediates & fine chemicals; pharmaceuticals. It is pale yellow crystalline solid which is soluble in hot water, slightly soluble in cold water, almost insoluble in methanol, ethanol and chloroform.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.52; (4)ACD/KOC (pH 7.4): 1.52; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 66.93 cm3; (9)Molar Volume: 183.3 cm3; (10)Polarizability: 26.53 10-24cm3; (11)Surface Tension: 60.4 dyne/cm; (12)Rotatable Bond Count: 3; (13)Tautomer Count: 2; (14)Exact Mass: 263.090606; (15)MonoIsotopic Mass: 263.090606; (16)Topological Polar Surface Area: 95.7; (17)Heavy Atom Count: 19; (18)Formal Charge: 0; (19)Complexity: 421.

Preparation of N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide: First, o-nitroaniline reacts with sodium hypochlorite, and then reacts with diketene and ethanolamine to get the product.

Uses of N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide: It is used as broad-spectrum antibacterial drugs against Gram-positive bacteria and gram-negative bacteria in the large number of bacteria-ming, a sense of right pathogenic hemolytic Escherichia coli, Proteus vulgaris, salmonella, selective inhibition of swine dysentery has an excellent efficacy. 2-bromomethyl-3-[N-(2-hydroxyethyl)carbamoyl]quinoxaline 1,4-oxide can be obtained by N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide. This reaction needs reagent bromine and solvent CH2Cl2 and dimethylformamide by heating. The reaction time is 5 hours. The yield is 80%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it may cause sensitization by skin contact. If you want to contact this product, you must wear suitable protective clothing and gloves. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]\2c1c(cccc1)N([O-])/C(=C/2C(=O)NCCO)C
2. InChI:InChI=1/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3316mg/kg (3316mg/kg)   Cesko-Slovenska Farmacie. Vol. 30, Pg. 26, 1981.
rat LD50 oral 1717mg/kg (1717mg/kg)   Cesko-Slovenska Farmacie. Vol. 30, Pg. 26, 1981.