N,N-ジエチルエタンアミン·臭化水素酸塩

Triethylamine hydrobromide

HCID 12493

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 636-70-4
標準SMILES: CC[NH+](CC)CC.[Br-]
InChIKey: NRTLTGGGUQIRRT-UHFFFAOYSA-N
分子式: C6H16BrN
平均分子量: 182.1 g/mol
単同位体質量: 181.04661

名称と識別子

優先名称: Triethylamine hydrobromide
IUPAC: triethylazanium bromide
現地名: N,N-ジエチルエタンアミン·臭化水素酸塩
英語名: Triethylamine hydrobromide
分子式: C6H16BrN
分子量: 182.1

名称と別名

RefChem:138024Triethylamine hydrobromideTriethylammonium bromideEthanamine, N,N-diethyl-, hydrobromideEthanamine, N,N-diethyl-, hydrobromide (1:1)triethylazanium;bromideEINECS 211-263-8NS00078389EC 211-263-8トリエチルアミン·臭化水素N,N-ジエチルエタンアミン·臭化水素酸塩トリエチルアミン臭化水素酸塩

名称をさらに表示

臭化水素酸トリエチルアミンtriethylazanium bromideRIETHYLAMINE HYDROBROMIDETriethylamine hydrobromide,99%n,n-diethyl-ethanamin hydrobromideN,N-Diethylethanamine HydrobromideEthanamine,N,N-diethyl-,hydrobromideTRIETHYLAMINE HYDROBROMIDE Extra PureTRIETHYLAMINE HYDROBROMIDE ISO 9001：2015 REACH

データベース識別子

CAS: 636-70-4
PubChem CID: 12493
EC Number: 211-263-8

物性

構造計算による物性

極性表面積: 4.4 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 25

物理化学的性質

融点: 246 · 246-248°C
比重(密度): 1.314 · 1.314[at 20℃]
蒸気圧: 0 Pa · 0Pa at 25℃
闪点: 65 ℃ · >65℃
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶性粉末またはフレーク
色: ホワイトからオフホワイト
水溶解度: 水、アルコール、クロロホルムに溶ける。
InChI: InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKey: NRTLTGGGUQIRRT-UHFFFAOYSA-N
SMILES: N(CC)(CC)CC.Br
LogP: 0.3 at · 0.3 at 25℃
EPAの化学物質情報: Triethylamine hydrobromide (636-70-4)

化学的性質

化学的特性white to off-white flakes

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (67.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (58.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 95 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10214

Hazard Classes and CategoriesSkin Irrit. 2 (67.4%)；Eye Irrit. 2 (100%)；STOT SE 3 (58.9%)

法規制情報

Regulatory InformationStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10214

安全データ

tsca: TSCA listed
hs_code: 29211999
risk_code: 36/37/38-20/21/22
化審法: 優先評価化学物質
hazard_code: Xn,Xi
safety_code: 36/37/39-26-22-36

化学と産業

用途と製造

General Manufacturing InformationEthanamine, N,N-diethyl-, hydrobromide (1:1): ACTIVE

応用分野

使用Triethylamine hydrobromide is used to prepare dimethyl -alfa-diethylaminomaleate by reacting with dimethyl acetylenedicarbosylate. It is involved in the preparation of triphenylpropargylphosphonium bromide.

調製方法 · 1 件

純化方法Equimolar portions of triethylamine and aqueous solutions of HBr in acetone are mixed with cooling. The precipitated salt is washed with anhydrous acetone and dried in vacuum for 1-2hours. [Odinekov et al. J Chem Soc, Faraday Trans 2 80 899 1984.] Recrystallise it from CHCl3 or EtOH. [Beilstein 4 IV 322.]