基本情報
- 標準SMILES
CC[N+](CC)(CC)CC.[Cl-]- InChIKey
YMBCJWGVCUEGHA-UHFFFAOYSA-M- 分子式
- C8H20N.Cl
- 平均分子量
- 165.7 g/mol
- 単同位体質量
- 165.12842732
概要
Tetraethylammonium chloride is a quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen. It has a role as a potassium channel blocker. It is a quaternary ammonium salt and an organic chloride salt. It contains a tetraethylammonium.
名称と識別子
- 優先名称
- Tetraethylammonium Chloride
- IUPAC
- tetraethylazanium chloride
- 現地名
- テトラエチルアンモニウムクロリド
- 英語名
- Tetraethylammonium Chloride
- 分子式
- C8H20ClN
- 分子量
- 165.7
名称と別名
名称をさらに表示
データベース識別子
- CAS
56-34-8- PubChem CID
- 5946
- DTXSID
DTXSID6041137- ChEMBL
CHEMBL434435- ChEBI
CHEBI:78161- UNII
- 8B82Z83XNN
- EC Number
- 200-267-5
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 or light yellow hygroscopic crystals; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 39 °C · 39°C
- 沸点
- 273.32 °C · 273.32°C (rough estimate)
- 比重(密度)
- 1.08 · 1.08
- 屈折率
- 1.548 · 1.5480 (estimate)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 0.1 g/mL、透明、無色 · メタノール: 0.1 g/mL、透明、無色
- 外見
- 結晶性粉末
- 色
- 白色~淡黄色
- PH
- 4 to · 4.0 to 7.0(50g/L, 25℃)
- 由来生物
- synthetic (organic)
- 水溶解度
- 水、エタノール、クロロホルム、アセトンに可溶
- Merck
- 14 · 14,9200
- BRN
- 3563247 · 3563247
- 安定性
- 安定。強力な酸化剤とは相容れない。湿気から保護してください。
- InChI
- 1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
- InChIKey
- YMBCJWGVCUEGHA-UHFFFAOYSA-M
- SMILES
- [Cl-].CC[N+](CC)(CC)CC
- CAS データベース
- 56 · 56-34-8(CAS DataBase Reference)
- EPAの化学物質情報
- Tetraethylammonium chloride (56-34-8)
化学的性質
化学的特性Tetraethylammonium Chloride is a white crystalline powder. The solubility is 1000000 mg/L at 25 °C.
安全と法規制
GHS分類
GHS Classification
Warning
H302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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 103 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H320: Causes eye irritation [Warning Serious eye damage/eye irritation]
危険有害性情報
Regulatory Information
Chemical: Ethanaminium, N,N,N-triethyl-, chloride (1:1)
Ethanaminium, N,N,N-triethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, N,N,N-triethyl-, chloride (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: 06-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20036
Ethanaminium, N,N,N-triethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence, tremor, and muscle weakness in oral, intraperitoneal, and intramuscular lethal-dose studies of mice and rats; Human intravenous injection of 5 mg/kg causes paresthesias, mydriasis, and ptosis; [RTECS] A skin and strong eye irritant; Targets the heart and CNS; [Sigma-Aldrich MSDS] See Tetraethylammonium bromide.
Hazard Classes and Categories
Acute Tox. 4 (25.2%)
Eye irritation - category 2B
安全と保護具
Protective Action Criteria (PAC)
0.55 [mg/m3]
6.0 [mg/m3]
30 [mg/m3]
毒性情報
安全データ
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS6125000
- 毒性
- LD50 i.v. in dogs: 55.7-72.4 mg/kg (Keith, Jr.)
- hs_code
- 29239000
- risk_code
- 22-36/37/38
- 化審法
- (2)-186
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 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-, chloride (1:1): ACTIVE
応用分野
用途有機合成原料、触媒など。
使用Tetraethylammonium Chloride can be used as a source of tetraethylammonium ions for various pharmaceutical studies and has the ability to block K+ channels in various tissues. Tetraethylammonium Chloride can also block the transmission of nervous impulses across autonomic ganglions.
一般的な説明Visit our Sensor Applications portal to learn more.
調製方法
純化方法Crystallise the chloride from EtOH by adding diethyl ether, from warm water by adding EtOH and diethyl ether, from dimethylacetamide or from CH2Cl2 by addition of diethyl ether. Dry it over P2O5 in vacuum for several days. It also crystallises from acetone/CH2Cl2/hexane (2:2:1) [Blau & Espenson J Am Chem Soc 108 1962 1986, White & Murray J Am Chem Soc 109 2576 1987]. [Beilstein 4 IV 332.]
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義ChEBI: Tetraethylammonium chloride is a quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen. It has a role as a potassium channel blocker. It is a quaternary ammonium salt and an organic chloride salt. It contains a tetraethylammonium.
関連反応
関連ノート
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