N-エチル-N-(2-クロロエチル)アニリン

N-(2-Chloroethyl)-N-ethylaniline

HCID 7093

基本情報

CAS
92-49-9
標準SMILES
CCN(CCCl)c1ccccc1
InChIKey
DBDNQNARCHWMSP-UHFFFAOYSA-N
分子式
C10H14ClN
平均分子量
183.68 g/mol
単同位体質量
183.08147713

名称と識別子

優先名称
N-(2-Chloroethyl)-N-ethylaniline
IUPAC
N-(2-chloroethyl)-N-ethylaniline
現地名
N-エチル-N-(2-クロロエチル)アニリン
英語名
N-Chloroethyl-N-ethylaniline
分子式
C10H14ClN
分子量
183.68

名称と別名

N-(2-Chloroethyl)-N-ethylanilineBenzenamine, N-(2-chloroethyl)-N-ethyl-N-ETHYL-N-(2-CHLOROETHYL)ANILINEN-(2-Chloroethyl)-N-ethylbenzenamineHSDB 5276UNII-YRZ30ATK2GEINECS 202-159-3BRN 1073025DTXSID60526153-12-00-00263 (Beilstein Handbook Reference)N-ETHYL-N-(2-CHLOROETHYL)ANILINE [HSDB]RefChem:161707
名称をさらに表示
N-(2-クロロエチル)-N-エチルアニリンN-エチル-N-(2-クロロエチル)アニリンエメリー5770N-β-クロロエチル-N-エチルアニリンemery5770N-Chloroethyl-N-ethyethyl(chloroethyl)anilineN-Chlorethyl-N-ethylanilin4-chloro-n,n-diethyl-anilinN-CHLOROETHYL-N-ETHYLANILINEN-ETHYL-N-CHLOROETHYL ANILINE2-(n-ethylanilino)ethylchloride2-chloroethyl-ethyl-phenyl-amine
N(2Chloroethyl)Nethylaniline2(NEthylanilino)ethyl chlorideAniline, N(2chloroethyl)NethylDTXCID0031188N(2Chloroethyl)NethylbenzenamineBenzenamine, N(2chloroethyl)Nethyl202-159-3245-082-0

データベース識別子

CAS
92-49-9
PubChem CID
7093
DTXSID
DTXSID6052615
UNII
YRZ30ATK2G
EC Number
202-159-3
Nikkaji
J29.601E

物性

構造計算による物性

XLogP
3.4
極性表面積
3.2 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
4
重原子数
12

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Color/FormNEEDLES FROM ALCOHOL
SolubilitySOL IN HOT ALCOHOL
Boiling Point251-253 °C
DecompositionWhen heated to decomposition it emits toxic vapors of /Nitrogen Oxides and Hydrogen Chloride/.
Melting Point45.5-46.5 °C

物理化学的性質

融点
46 °C · 46°C
沸点
302.39 °C · 302.39°C (rough estimate)
比重(密度)
1.0821 · 1.0821 (rough estimate)
屈折率
1.61 · 1.6100 (estimate)
酸解離定数(Pka)
5.52 · 5.52±0.50(Predicted)
InChI
InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Benzenamine, N-(2-chloroethyl)-N-ethyl-
Hazards SummaryEmergency treatment: Mustard gas; [HSDB] Corrosive to skin; [RTECS] See Nitrogen mustard (HN-1).
Hazard Classes and CategoriesAcute Tox. 3 (100%)

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

Adverse EffectsDermatotoxin - Skin burns.
TSCA Test Submissions · 2 件

N-(2-chloroethyl)-N-ethylaniline was evaluated for acute dermal toxicity in 4 groups of 4 New Zealand White rabbits (sex not indicated) administered 0.100, 0.215, 0.464, and 1.00 ml/kg bw doses of the test substance to the abdominal skin under occlusive conditions. The skin of 2 rabbits in each group was abraded prior to application of the test substance. Animals were observed for 14 days following treatment. The use of controls was not reported. Mortalities included one at both the 0.215 ml/kg and 0.464 ml/kg levels, and 4 at the 1.00 ml/kg level. The LD50 (and 95% confidence limits) were determined by the moving average method to be 464 ml/kg (0.270 - 0.799). Clinical signs included depression and nasal discharge at the 0.100 and 0.215 levels; hunched posture, emaciation, and half closed eyes at the 0.215 l ml/kg level. Additional signs observed at 0.464 ml/kg level included wheezing, diarrhea, excessive salivation, hyperactivity, and exceptionally blue eyes. The single high dose rabbit that survived long enough for observation displayed the additional signs of depressed righting and placement reflexes and labored respiration. Signs of dermal irritation were seen in all treatment groups. Gross necropsy of rabbits that died revealed congested lungs at all levels; congested kidneys at the two highest dose levels; and autolysis, pale livers and stomachs which fell apart when handled at the highest dose.

N-(2-chloroethyl)-N-ethylaniline ( CAS # 92-49-9) was evaluated for acute dermal toxicity in 4 male albino rabbits (strain not indicated) exposed to the test substance under occlusive conditions at a dose level of 200 mg/kg body weight for 24 hours. The skin of 2 rabbits was abraded prior to application of the test substance. The use of controls was not reported. All animals died within 24 hrs. No LD50 was determined and no clinical signs were reported. Gross necropsy revealed organs of the thorax and abdomen to be normal.

Non-Human Toxicity Excerpts · 2 件

ETHYLPHENYL-2-CHLOROETHYLAMINE, A MONOFUNCTIONAL MUSTARD WAS TESTED IN VIVO AGAINST WALKER CARCINOMA 259 IN RATS AND FOUND TO BE INACTIVE.

Poison by intraperitoneal and skin contact routes. Moderately toxic by ingestion.

安全データ

tsca
TSCA listed
有毒物質データの
92-49-9(Hazardous Substances Data)

化学と産業

薬理情報

Metabolism/MetabolitesN-ETHYL-N-(2-CHLOROETHYL)ANILINE IS A METABOLITE OF ALKOXYANILINE MUSTARDS IN MICROSOMAL SUSPENSIONS.

用途と製造

Uses · 2 件

A metabolite of alkoxyaniline mustards in microsomal suspensions; [HSDB]

N-ETHYL-N-(2-CHLOROETHYL)ANILINE IS A METABOLITE OF ALKOXYANILINE MUSTARDS IN MICROSOMAL SUSPENSIONS.

General Manufacturing InformationBenzenamine, N-(2-chloroethyl)-N-ethyl-: ACTIVE

応用分野

使用N-Chloroethyl-N-ethylaniline is used as an intermediate in the synthesis of dyes as an aniline organic compound.

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関連反応

22 件

化合物ノート

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