CAS 506-59-2 Dimethylazanium;chloride (HCID 12954980)

部分構造検索類似構造を探す

基本情報

CAS: 506-59-2
標準SMILES: C[NH2+]C.[Cl-]
InChIKey: IQDGSYLLQPDQDV-UHFFFAOYSA-N
分子式: C2H8ClN
平均分子量: 81.54 g/mol

概要

See also: Dimethylamine, hydrochloride (preferred).

名称と識別子

優先名称: Dimethylazanium;chloride
IUPAC: dimethylazanium chloride
現地名: ジメチルアミン塩酸塩
英語名: Dimethylamine hydrochloride
分子式: C2H8ClN
分子量: 81.54

名称と別名

dimethylazanium;chloridehydron;N-methylmethanamine;chlorideSCHEMBL4296520ジメチルアミン塩酸塩ジメチルアミン·塩酸塩ジメチルアミン·塩酸ジメチルアミン塩酸塩（1：1）ジメチルアンモニウムクロリドジメチルアミン塩酸塩塩化ジメチルアンモニウムMETHANAMINE HYDROCHLORIDEDMACl

名称をさらに表示

DIMETHYLAMINE HCLDIMETHYLAMMONIUM CHLORIDEMetformin impurity F CRSDiMethylaMine hydrochloridMetformin EP Impurity F HClJACS-506-59-2Dimethylamine hydrocImatinib EP Impurity I

データベース識別子

CAS: 506-59-2
PubChem CID: 12954980
Nikkaji: J1.527.183C

物性

構造計算による物性

極性表面積: 16.6 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: 0
重原子数: 4
形式電荷: 0
複雑度: 6

物理化学的性質

融点: 170 · 170-173 °C(lit.)
沸点: 95.79 °C · 95.79°C (rough estimate)
比重(密度): 0.8949 · 0.8949 (rough estimate)
蒸気圧: 0.1 hPa · <0.1 hPa (25 °C)
屈折率: 1.4202 · 1.4202 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2 O: · H2O: 可溶0.5g/10mL
外見: 結晶性粉末または結晶
色: ホワイトからオフホワイト
PH: 5 · 5 (100g/l, H2O, 20℃)
水溶解度: 3000 g/L · 3000g/L（20℃）
Merck: 14 · 14,3228
BRN: 3589311 · 3589311
安定性: 安定。強力な酸化剤とは相容れない。
InChI: 1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
InChIKey: IQDGSYLLQPDQDV-UHFFFAOYSA-N
SMILES: Cl[H].CNC
LogP: -3.28 · -3.28
CAS データベース: 506 · 506-59-2(CAS DataBase Reference)
EPAの化学物質情報: Methanamine, N-methyl-, hydrochloride (506-59-2)

安全と法規制

安全データ

F: 3-9
wgk: 1
tsca: TSCA listed
rtecs: IQ0220000
毒性: LD50 in mice (g/kg): 1.21 i.v., 2.00 s.c. (Hazard); LC50 in mice (ppm): 7650 (48 hr), 4725 (14 day); in rats (ppm): 4540 (6 hr) (Steinhagen)
hs_code: 29211190
risk_code: 22-36/37/38
化審法: (2)-134
hazard_code: Xn
safety_code: 26-36/37-37/39-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids
危険度評価（NFPA 704基準/消防庁データ）: 人的[青]=0

化学と産業

応用分野 · 4 件

用途医薬原料、フラックス、有機合成原料等。

用途有機合成原料、加硫促進剤。

説明Dimethylamine hydrochloride is the raw material of organic synthesis, the catalyzer of analysis as an acetylize, and the preparation of azoviolet and dimethylamine aqueous solution. Dimethylamine hydrochloride deoxidation is very capable, and corrodibility is vital, so be usually used in cleaning-type soldering flux. Preparation technology is for slowly splashing into hydrochloric acid in dimethylamine for tradition, and the speed that splashes into is no more than 15 ℃ with temperature, and pH=7-8 is limited. After the reaction finishes, activated carbon decolorizing is added, the filtrate is adjusted to pH=3-4 with hydrochloric acid, decompression is steamed water to the greatest extent, obtaining dimethylamine hydrochloride.

使用Dimethylamine hydrochloride is a precursor to several industrially significant compounds.

調製方法

製造方法Dimethylamine hydrochloride is obtained from the salt formation of dimethylamine and hydrochloric acid.

純化方法Crystallise the salt from hot CHCl3 or absolute EtOH. It also recrystallises from MeOH/ether solution. Dry it in a vacuum desiccator over H2SO4, then P2O5. Hygroscopic. [Beilstein 4 IV 132.]