基本情報
- 標準SMILES
CC[N+](CC)(CC)CC.[Br-]- InChIKey
HWCKGOZZJDHMNC-UHFFFAOYSA-M- 分子式
- C8H20N.Br
- 平均分子量
- 210.16 g/mol
- 単同位体質量
- 209.07791174
概要
See also: Tetraethylammonium (has active moiety).
名称と識別子
- 優先名称
- Tetraethylammonium Bromide
- IUPAC
- tetraethylazanium bromide
- 現地名
- テトラエチルアンモニウムブロミド
- 英語名
- Tetraethylammonium bromide
- 分子式
- C8H20BrN
- 分子量
- 210.16
名称と別名
名称をさらに表示
データベース識別子
- CAS
71-91-0- PubChem CID
- 6285
- DTXSID
DTXSID9044457- ChEMBL
CHEMBL324254- UNII
- 0435621Z3N
- EC Number
- 200-769-4
物性
構造計算による物性
- 極性表面積
- 0 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
- 10
- 形式電荷
- 0
- 複雑度
- 47.5
実験および物理化学的性質
Physical Description
Liquid
Deliquescent solid; [Merck Index] Colorless crystalline solid; Highly hygroscopic; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 285 °C · 285 °C (dec.)(lit.)
- 沸点
- 310 °C/979.1 · >310 °C/979.1 hPa
- 比重(密度)
- 1 · 1,397 g/cm3
- 蒸気密度
- 5.3 · 5.3 (vs air)
- 蒸気圧
- 1 hPa · <1 hPa
- 屈折率
- 1 · 1,442-1,444
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.1 g/mL · アセトニトリル: 0.1 g/mL 温、透明、無色
- 外見
- 液体
- 色
- ホワイト~クリーム
- 臭い (Odor)
- 無臭
- PH
- 6.5 · 6.5 (100g/l, H2O, 20℃)
- 水溶解度
- 2795 g/L · 2795g/L(25℃)
- Merck
- 14 · 14,9199
- BRN
- 3563430 · 3563430
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
- InChIKey
- HWCKGOZZJDHMNC-UHFFFAOYSA-M
- SMILES
- [Br-].CC[N+](CC)(CC)CC
- CAS データベース
- 71 · 71-91-0(CAS DataBase Reference)
- NISTの化学物質情報
- Tetraethylammonium bromide(71-91-0)
- EPAの化学物質情報
- Ethanaminium, N,N,N-triethyl-, bromide (71-91-0)
化学的性質
化学的特性white to light yellow crystalline solid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.6% (5 of 317) of reports.
Warning
H302 (18.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 317 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Ethanaminium, N,N,N-triethyl-, bromide
Ethanaminium, N,N,N-triethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, N,N,N-triethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 23-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19226
Tetraethylammonium bromide: HSNO Approval: HSR006306 Approved with controls
Hazards Summary
Causes mydriasis, tremor, and changes in motor activity in acute intraperitoneal studies of mice; Causes ganglion blockage and lowered blood pressure in acute intravenous studies of cats; [RTECS] A skin and strong eye irritant; Targets the heart and CNS; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (18.3%)
Eye irritation - category 2B
安全と保護具
Protective Action Criteria (PAC)
8.4 [mg/m3]
92 [mg/m3]
550 [mg/m3]
安全データ
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS5950000
- hs_code
- 29239000
- risk_code
- 36/37/38
- 化審法
- (2)-186
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Aquatic Chronic 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanaminium, N,N,N-triethyl-, bromide (1:1): ACTIVE
応用分野
解説臭化テトラエチルアンモニウム,シュウカテトラエチルアンモニウム,C8H20BrN(210.16).(C2H5)4N+ Br-.略称TEAB.テトラエチルアンモニウムブロミドともいう.トリエチルアミンに臭化エチルを作用させると得られる第四級アンモニウム塩.潮解性結晶.分解点285 ℃.d425"1.3880.水,アセトン,エタノール,クロロホルムに易溶,ベンゼンに難溶.pH 6.5(10% 水溶液).ガングリオン阻害剤,血圧降下作用があり,高血圧や末梢血管の診断治療に用いられる.
用途臭化テトラエチルアンモニウム (tetraethylammonium bromide) は第四級アンモニウム塩である。テトラエチルアンモニウム(英語版)カチオンの供給源として利用される。
使用Tetraethylammonium Bromide, can be used as a source of tetraethylammonium ions for various pharmaceutical studies. It has also the ability to block K+ channels in various tissues.
一般的な説明The use of ion-pairing reagents as mobile phase additives allows the separation of ionic and highly polar substances on reversed phase HPLC columns. The purity of mobile phase additives is of utmost importance to their successful application. Sigma-Aldrich offers an outstanding range of tailor-made reagents for anionic (quaternary ammonium and phosphonium salts) and cationic (alkanesulfonates) determination. All mobile phase additives are subject to rigorous testing with special emphasis on the requirements of modern reversed phase HPLC:
調製方法
純化方法Recrystallise the bromide from EtOH, CHCl3 or diethyl ether, or recrystallise it from acetonitrile and dry it over P2O5 under reduced pressure for several days. It also recrystallises from EtOH/diethyl ether (1:2), EtOAc, water or boiling MeOH/acetone (1:3) or by adding an equal volume of acetone and allowing to cool. Dry it at 100o in vacuo for 12 days, and store over P2O5. [Beilstein 4 IV 332.]
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