N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide
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N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide
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CAS No:
56046-62-9
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Formula:
C12H19N3O3S
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Chemical Name:
N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide
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Synonyms:
Methanesulfonamide,N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]-;Methanesulfonamide,N-[2-(N-ethyl-4-nitroso-m-toluidino)ethyl]-;N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide
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CAS No:
N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide Basic Attributes
285.36 g/mol
285.36
259-958-5
0EXN6025MX
DTXSID3042134
Safety Information
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxicity
N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide's possible production and use in the manufacture of azomethine dyes, indoaniline dyes, and indophenol dyes(1), in the manufacture of aminopyrimidine azomethine dyes(2), and in the manufacture of beta, gamma-unsaturated nitrile based azomethine dyes(3) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1950(SRC), determined from a structure estimation method(2), indicates that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should have low mobility in soil(SRC). Volatilization of N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should not be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 1X10-10 atm-cu m/mole(SRC), using a recommended regression equation(3) or from dry soil surfaces(SRC), based on an estimated vapor pressure of 7X10-7 mm Hg(SRC) using a fragment constant method(4). Insufficient data are available to determine the rate or importance of biodegradation of N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide in soil(SRC).|AQUATIC FATE: An estimated Koc value of 1950(SRC), determined from a structure estimation method(1), indicates that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should adsorb to suspended solids and sediment(SRC) in the water(3,SRC). N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will be essentially non-volatile from water surfaces based on an estimated Henry's Law constant of 1X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). An estimated BCF value of 24(3,SRC), from an estimated log Kow(4,SRC), suggests that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will not bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(5). Insufficient data are available to determine the rate or importance of biodegradation of N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide, which has an estimated vapor pressure of 7X10-7 mm Hg at 25 °C(2,SRC) will exist as both a vapor and particulate in the ambient atmosphere. Vapor-phase N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 1.7 hours(3,SRC). Particulate-phase N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide may be physically removed from the air by wet and dry deposition(SRC).
The rate constant for the vapor-phase reaction of N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide with photochemically produced hydroxyl radicals has been estimated as 2.3X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1.7 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).
An estimated BCF value of 24 was calculated for N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide(SRC), using an estimated log Kow of 2.13(1,SRC) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will not be an important fate process(SRC).
Using a structure estimation method based on molecular connectivity indexes(1), the Koc for N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide can be estimated to be about 1950(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should have low mobility in soil(SRC).
The Henry's Law constant for N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide is estimated as 1X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will be essentially nonvolatile from water surfaces(2,SRC). N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide's vapor pressure, 7X10-7 mm Hg(3,SRC) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil should not occur(SRC).
N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamide Use and Manufacturing
NITROSATION OF N-(2-(ETHYL(3-METHYLPHENYL)AMINO)ETHYL)METHANESULFONAMIDE WITH NITROUS ACID IN AQUEOUS OR ANHYDROUS ALCOHOL
CAPTIVE CHEMICAL INTERMEDIATE
(1977) AT LEAST 4.5X10+9 G (CAPTIVE PRODN)
Methanesulfonamide, N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]-: INACTIVE|In the manufacture of azomethine dyes, indoaniline dyes, and indophenol dyes.|Manufacture of aminopyrimidine azomethine dyes.|Manufacture of beta, gamma-unsaturated nitrile based azomethine dyes.
Computed Properties
Molecular Weight:285.36
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:285.11471265
Monoisotopic Mass:285.11471265
Topological Polar Surface Area:87.2
Heavy Atom Count:19
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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