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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
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
- InChIKey
- DBDNQNARCHWMSP-UHFFFAOYSA-N
- SMILES
- C1(N(CCCl)CC)=CC=CC=C1
- CAS データベース
- 92 · 92-49-9(CAS DataBase Reference)
- EPAの化学物質情報
- N-Ethyl-N-(2-chloroethyl)aniline (92-49-9)
安全と法規制
GHS分類
GHS Classification
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
安全と保護具
Disposal Methods
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
TSCA Test Submissions
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
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
用途と製造
Uses
A metabolite of alkoxyaniline mustards in microsomal suspensions; [HSDB]
N-ETHYL-N-(2-CHLOROETHYL)ANILINE IS A METABOLITE OF ALKOXYANILINE MUSTARDS IN MICROSOMAL SUSPENSIONS.
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.
上流・下流製品情報
上流原料
サプライヤー33 社
関連反応
化合物ノート
読み込み中…