基本情報
- 標準SMILES
C[NH+](C)C.[Cl-]- InChIKey
SZYJELPVAFJOGJ-UHFFFAOYSA-N- 分子式
- C3H10ClN
- 平均分子量
- 95.57 g/mol
概要
See also: Trimethylamine Hydrochloride (preferred).
名称と識別子
- 優先名称
- Trimethylazanium;chloride
- IUPAC
- trimethylazanium chloride
- 現地名
- トリメチルアミン塩酸塩
- 英語名
- Trimethylamine hydrochloride
- 分子式
- C3H10ClN
- 分子量
- 95.57
名称と別名
名称をさらに表示
データベース識別子
- CAS
593-81-7- PubChem CID
- 11649
物性
構造計算による物性
- 極性表面積
- 4.4 Ų
- 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
- 0
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 8
物理化学的性質
- 融点
- 283 · 283-284 °C (dec.)(lit.)
- 沸点
- 132.32 °C · 132.32°C (rough estimate)
- 比重(密度)
- 0.9337 · 0.9337 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.4413 · 1.4413 (estimate)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 溶ける
- 外見
- 結晶性粉末
- 色
- 白~ややクリーム色
- PH
- 5 · 5 (100g/l, H2O, 20℃)
- 水溶解度
- 溶ける
- Merck
- 14 · 14,9710
- BRN
- 3905063 · 3905063
- 安定性
- Hygroscopic
- InChI
- 1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
- InChIKey
- SZYJELPVAFJOGJ-UHFFFAOYSA-N
- SMILES
- Cl[H].CN(C)C
- LogP
- -2.25 at · -2.25 at 25℃
- CAS データベース
- 593 · 593-81-7(CAS DataBase Reference)
- NISTの化学物質情報
- Methanamine,n,n-dimethyl-,hydrochloride(593-81-7)
- EPAの化学物質情報
- Trimethylamine hydrochloride (593-81-7)
化学的性質
化学的特性white to slightly cream crystalline powder
安全と法規制
安全データ
- F
- 3-10
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YH2700000
- 毒性
- LD50 orally in Rabbit: 3090 mg/kg
- hs_code
- 29211190
- risk_code
- 36/37/38-38-36
- hazard_code
- 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
- 有毒物質データの
- 593-81-7(Hazardous Substances Data)
化学と産業
応用分野
用途有機合成原料。
使用Trimethylamine hydrochloride is used in the manufacture of quaternary ammonium compounds, as insect attractant. It is also used as a raw material for the synthesis of choline chloride and ion exchange resins. Additionally, It acts as a cationic starch reagent, phase transfer catalyst, oil field chemicals, warning agent for natural gas and flotation agent.
調製方法
製造方法Trimethylamine hydrochloride can be synthesized through the reaction of trimethylamine (TMA) and hydrochloric acid (HCl). The synthesis reaction can be written as follows:C3H9N+ HCl → C3H10ClNThe following steps are involved in obtaining trimethylamine hydrochloride:Step 1: Evaporation of hydrochloric acid solution The hydrochloric acid solution is evaporated, first over a free flame, and later on a steam bath. This process results in concentration of the solution, which aids in the formation of trimethylamine hydrochloride crystals.Step 2: Crystal formation and filtration As the solution becomes more and more concentrated, the trimethylamine hydrochloride crystals begin to form. The crystals are filtered periodically to remove them from the solution.Step 3: Drying The filtered crystals are dried in an air bath for a few minutes, with a temperature range of 100-110°.Step 4: Storage The air-dried crystals are then stored in a tightly closed bottle.Step 5: Centrifugation (optional) If the trimethylamine hydrochloride crystals are centrifuged, the product is obtained pure and dry.Overall, four runs yield an average of 710 g of pure trimethylamine hydrochloride and 82 g of slightly yellow-tinted product. This yield is equivalent to 89% of the theoretical amount based on ammonium chloride. The slight yellow coloration results from the evaporation of the last traces of solution.DOI: 10.15227/orgsyn.001.0079
純化方法The salt crystallises from CHCl3, EtOH or n-propanol, and is dried under vacuum. It also crystallises from *benzene/MeOH, MeOH/diethyl ether and is dried under vacuum over paraffin wax and H2SO4. It is kept over P2O5 as it is hygroscopic.[Beilstein 4 H 262, 4 I 419, 4 IV 138.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: Trimethylamine hydrochloride is a hydrochloride salt formed by reaction of equimolar amounts of trimethylamine and hydrogen chloride. It contains a trimethylammonium.
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関連ノート
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