ビス(2-クロロエチル)アミン塩酸塩
Bis(2-chloroethyl)amine hydrochloride
基本情報
- CAS
821-48-7- 標準SMILES
Cl.ClCCNCCCl- InChIKey
YMDZDFSUDFLGMX-UHFFFAOYSA-N- 分子式
- C4H9Cl2N.ClH
- 平均分子量
- 178.48 g/mol
- 単同位体質量
- 176.98788236
名称と識別子
- 優先名称
- Bis(2-chloroethyl)amine hydrochloride
- IUPAC
- 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
- 現地名
- ビス(2-クロロエチル)アミン塩酸塩
- 英語名
- Bis(2-chloroethyl)amine hydrochloride
- 分子式
- C4H10Cl3N
- 分子量
- 178.49
名称と別名
Bis(2-chloroethyl)amine hydrochloride821-48-7Bis(2-chloroethyl)ammonium chloridenor-Lost hydrochloridNor-HN2 hydrochlorideDTXSID3052567di(2-chloroethyl)amine hydrochlorideDi-2-chloroethylamine hydrochlorideBi(2-chloroethyl)amine hydrochlorideNSC 10873NSC-108731,5-Dichloro-3-azapentane hydrochloride
名称をさらに表示
ビス(2-クロロエチル)アミン塩酸塩ビス(2-クロロエチル)アミン·塩酸塩ビス(2-クロロエチル)アミン=一塩酸塩1,1'-イミノビス(2-クロロエタン)·塩酸塩2,2'-ジクロロジエチルアミン塩酸塩ビス(2‐クロロエチル)アミン塩酸塩ビス(2-クロロエチル)アミン 塩酸塩CyclophosphaMide Related CoMpound AAdomiparinBIS (2-CHLOROETHYL) AMINE HCLis(2-chloroethyl)aMine hydrochloride2-Chloro-N-(2-chloroethyl)ethylamine hydrochloridenc26sk555tl161leo72a
LEO-72ABis(.beta.-chloroethyl)amine hydrochlorideDTXCID4031140LY407360DGNor-lost hydrochlorid [German]Bis(beta-chloroethyl)amine hydrochlorideEthanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)EINECS 212-479-5
データベース識別子
- CAS
821-48-7- PubChem CID
- 522769
- DTXSID
DTXSID3052567- UNII
- LY407360DG
- EC Number
- 212-479-5
物性
構造計算による物性
- 極性表面積
- 12 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 28.9
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines
Physical DescriptionOff-white powder with an irritating odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 212 · 212-214 °C(lit.)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 100 g/l · >100g/l
- 外見
- 結晶性粉末
- 色
- 白からベージュ
- 水溶解度
- 溶ける
- BRN
- 3550356 · 3550356
- InChI
- InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
- InChIKey
- YMDZDFSUDFLGMX-UHFFFAOYSA-N
- SMILES
- N(CCCl)CCCl.Cl
- CAS データベース
- 821 · 821-48-7(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2,2'-Dichlorodiethylamine hydrochloride(821-48-7)
- EPAの化学物質情報
- 2 · Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (821-48-7)
化学的性質
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。
GHS分類
GHS Classification
Danger
H290 (16.2%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
Status: Active Update: 07-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19951
Bis(2-chloroethyl)ammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; May cause skin sensitization; Harmful by ingestion; Toxic by inhalation; Risk of irreversible adverse health effects; Suspected mutagen; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS] See 1-Chloro-2-(diethylamine)ethane hydrochloride, N,N-Dimethylaminoethyl chloride hydrochloride, and 2-Chloro-N,N-dimethyl-1-propanamine hydrochloride. Search for (821-48-7[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesMet. Corr. 1 (16.2%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
化学と産業
用途と製造
General Manufacturing InformationEthanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1): ACTIVE
応用分野
使用Bis(2-chloroethyl)amine hydrochloride is used as an intermediate in chemicals synthesis and building block for piperazine derivatives.
調製方法
純化方法Crystallise the salt from Me2CO or MeOH/Et2O. The picrate has m 112-113o (from EtOH or Me2CO). [Mann J Chem Soc 464 1934, Ward J Am Chem Soc 57 915 1935,
上流・下流製品情報
上流原料
下流製品
関連反応
187 件
化合物ノート
読み込み中…