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N-[2-[エチル(3-メチル-4-ニトロソフェニル)アミノ]エチル]メタンスルホンアミド

N-(2-(Ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide

HCID 41694
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
56046-62-9
標準SMILES
CCN(CCNS(C)(=O)=O)c1ccc(N=O)c(C)c1
InChIKey
XWQURWIJAIIPQP-UHFFFAOYSA-N
分子式
C12H19N3O3S
平均分子量
285.36 g/mol
単同位体質量
285.11471265

名称と識別子

優先名称
N-(2-(Ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide
IUPAC
N-[2-(N-ethyl-3-methyl-4-nitrosoanilino)ethyl]methanesulfonamide
現地名
N-[2-[エチル(3-メチル-4-ニトロソフェニル)アミノ]エチル]メタンスルホンアミド
英語名
N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulphonamide
分子式
C12H19N3O3S
分子量
285.36

名称と別名

56046-62-9HSDB 6170EINECS 259-958-50EXN6025MXMethanesulfonamide, N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]-DTXSID30421344-Nitroso-N-ethyl-N-(beta-methylsulfonamidoethyl)-m-toluidineN-(2-(Methylsulfamido)ethyl)-N-ethyl-3-methyl-4-nitrosoanilineN-{2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl}methanesulfonamideMethanesulfonamide, N-(2-(ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-N-(2-(ETHYL(3-METHYL-4-NITROSOPHENYL)AMINO)ETHYL)-METHANESULFONAMIDE4-NITROSO-N-ETHYL-N-(.BETA.-METHYLSULFONAMIDOETHYL)-M-TOLUIDINE
名称をさらに表示
N-エチル-N-(2-メチルスルホニルアミノエチル)-3-メチル-4-ニトロソアニリンN-[2-[エチル(3-メチル-4-ニトロソフェニル)アミノ]エチル]メタンスルホンアミドN-{2-[エチル(3-メチル-4-ニトロソフェニル)アミノ]エチル}メタンスルホンアミドN-Ethyl-N-(2-methylsulfonylaminoethyl)-3-methyl-4-nitrosoanilineN-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulphonamide
METHANESULFONAMIDE, N-(2-(N-ETHYL-4-NITROSO-M-TOLUIDINO)ETHYL)-N-(2-(ETHYL(3-METHYL-4-NITROSOPHENYL)AMINO)ETHYL)METHANESULFONAMIDE4-NITROSO-N-ETHYL-N-(.BETA.-METHYLSULFONAMIDOETHYL)-M-TOLUIDINE [HSDB]N-[2-[Ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulfonamideRefChem:824832DTXCID10221344NitrosoNethylN(betamethylsulfonamidoethyl)mtoluidineN(2(Methylsulfamido)ethyl)Nethyl3methyl4nitrosoaniline

データベース識別子

CAS
56046-62-9
PubChem CID
41694
DTXSID
DTXSID3042134
UNII
0EXN6025MX
EC Number
259-958-5
Nikkaji
J29.615E

物性

構造計算による物性

XLogP
1.3
極性表面積
87.2 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
6
重原子数
19
形式電荷
0
複雑度
380

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Vapor Pressure0.0000007 [mmHg]

物理化学的性質

Henry's Law Constant
9.9 · 9.9×104 mol/(m3Pa) at 25℃, HSDB (2015)
EPAの化学物質情報
2 · Methanesulfonamide, N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]- (56046-62-9)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

安全と保護具

Disposal Methods · 1 件

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.

毒性情報

Environmental Fate · 3 件

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).

Soil Adsorption/Mobility · 1 件

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).

Artificial Pollution Sources · 1 件

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).

Environmental Bioconcentration · 1 件

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).

Volatilization from Water/Soil · 1 件

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).

Environmental Abiotic Degradation · 1 件

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).

Environmental Fate/Exposure Summary · 1 件

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, in the manufacture of aminopyrimidine azomethine dyes, and in the manufacture of beta, gamma-unsaturated nitrile based azomethine dyes may result in its release to the environment through various waste streams. If released to soil, N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should have low mobility. Volatilization of N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should not be important from moist or dry soil surfaces. 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 or water. If released to water, N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide should adsorb to suspended solids and sediment. N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will be essentially non-volatile from water surfaces. An estimated BCF value of 24 suggests that N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will not bioconcentrate in aquatic organisms. If released to the atmosphere, N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide will exist as both a vapor and particulate. Vapor-phase N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 1.7 hours. 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)

安全データ

tsca
TSCA listed
有毒物質データの
56046-62-9(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used as captive chemical intermediate to make azomethine dyes, indoaniline dyes, and indophenol dyes; [HSDB]

CAPTIVE CHEMICAL INTERMEDIATE

U.S. Production(1977) AT LEAST 4.5X10+9 G (CAPTIVE PRODN)
Methods of ManufacturingNITROSATION OF N-(2-(ETHYL(3-METHYLPHENYL)AMINO)ETHYL)METHANESULFONAMIDE WITH NITROUS ACID IN AQUEOUS OR ANHYDROUS ALCOHOL
General Manufacturing Information · 4 件

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.

サプライヤー1 社

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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