基本情報
- 標準SMILES
CCn1cc[n+](C)c1.[Cl-]- InChIKey
BMQZYMYBQZGEEY-UHFFFAOYSA-M- 分子式
- C6H11ClN2
- 平均分子量
- 146.62 g/mol
- 単同位体質量
- 146.06107603
概要
1-ethyl-3-methylimidazolium chloride is an organic chloride salt in which the cationic component is 1-ethyl-3-methylimidazolium. It is an organic chloride salt and an ionic liquid. It contains a 1-ethyl-3-methylimidazolium.
名称と識別子
- 優先名称
- 1-Ethyl-3-methylimidazolium chloride
- IUPAC
- 1-ethyl-3-methylimidazol-3-ium chloride
- 現地名
- 1-エチル-3-メチルイミダゾリウムクロリド
- 英語名
- 1-Ethyl-3-methylimidazolium chloride
- 分子式
- C6H11ClN2
- 分子量
- 146.62
名称と別名
名称をさらに表示
データベース識別子
- CAS
65039-09-0- PubChem CID
- 2734160
- DTXSID
DTXSID1041180- ChEMBL
CHEMBL3184109- ChEBI
CHEBI:61327- UNII
- PH90AQ1E93
- EC Number
- 613-739-4
物性
構造計算による物性
- 極性表面積
- 8.8 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
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 72.9
物理化学的性質
- 融点
- 77 · 77-79 °C(lit.)
- 比重(密度)
- 1.435 g/cm3 · 1.435 g/cm3
- 蒸気圧
- 0 Pa · 0Pa at 20-50℃
- 闪点
- 186 °C · 186 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- 結晶性粉末の凝集
- 色
- ペールイエロー
- 水溶解度
- 水に溶ける。
- BRN
- 5163190 · 5163190
- 安定性
- 安定。非常に吸湿性があります。強力な酸化剤とは相容れない。
- InChI
- 1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
- InChIKey
- BMQZYMYBQZGEEY-UHFFFAOYSA-M
- SMILES
- [Cl-].CCn1cc[n+](C)c1
- LogP
- -2.6 at · -2.6 at 23℃ and pH6.6
- CAS データベース
- 65039 · 65039-09-0(CAS DataBase Reference)
- EPAの化学物質情報
- 1 H-Imidazolium, · 1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1) (65039-09-0)
化学的性質
化学的特性green crystals
安全と法規制
GHS分類
GHS Classification
Warning
H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16488
安全データ
- F
- 3-10
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2933 29 90
- risk_code
- 36/38-51/53-36/37/38-25
- hazard_code
- Xi,N,T
- safety_code
- 26-57-45-37/39-29
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
使用1-Ethyl-3-methylimidazolium chloride is an imidazolium chloride ionic liquid that can be used as:A starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies.A solvent as well as catalyst for the depolymerization of oak wood lignin.A solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brnsted acid catalysts.
一般的な説明1-Ethyl-3-methylimidazolium chloride is an organic salt and a room-temperature ionic liquid (RTIL). It is used as a solvent in many organic reactions due to its unique properties like small vapor pressures, high thermal stabilities and ionic conductivities.
調製方法
純化方法A yellow solution of impure 1-ethyl-3-methylimidazolium chloride (ALDRICH) (50 g) having a yellow color in deionized water (250 mL) was prepared. Decolorizing charcoal (3 g) was added to the yellow solution and the resulting mixture was heated at 65° C. for 24 hours. The solution was cooled to room temperature and filtered. The filtrate was colorless. The water was removed from the colorless filtrate using a lyophilizer. The resulting solid was then heated under a vacuum for 48 hours at 65° C. The product white solid was substantially pure 1-ethyl-3-methylimidazolium chloride (48 g).
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: An organic chloride salt in which the cationic component is 1-ethyl-3-methylimidazolium.
関連反応
関連ノート
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