基本情報
- CAS
33797-51-2- 標準SMILES
C=[N+](C)C.[I-]- InChIKey
VVDUZZGYBOWDSQ-UHFFFAOYSA-M- 分子式
- C3H8IN
- 平均分子量
- 185.01 g/mol
名称と識別子
- 優先名称
- Dimethyl(methylene)ammounium iodide
- IUPAC
- dimethyl(methylidene)azanium iodide
- 現地名
- N,N-ジメチルメチレンアンモニウムヨージド
- 英語名
- N,N-DiMethylMethyleneaMMoniuM Iodide
- 分子式
- C3H8IN
- 分子量
- 185.01
名称と別名
33797-51-2Eschenmoser's saltN,N-Dimethylmethyleneammonium iodideN,N-Dimethylmethyleneiminium iodideN-methyl-N-methylenemethanaminium iodideDimethyl(methylene)ammounium iodide5C42I004S1Methanaminium, N-methyl-N-methylene-, iodideEINECS 251-680-2ESCHENMOSER'S REAGENTDIMETHYL(METHYLENE)AMMONIUM IODIDEMethylenedimethylammonium iodide
名称をさらに表示
N,N-ジメチルメチレンアンモニウムヨージドメチレンジメチルイミニウム·ヨージドエシェンモーザー塩ジメチル(メチレン)イミニウム·ヨージドN,N-ジメチルメタンイミニウム·ヨージドN-メチル-N-メチレンメタンアミニウム·ヨージドエッシェンモサー塩N,N-ジメチルメチレンイミニウムヨージドよう化ジメチルメチレンアンモニウムN,N-ジメチルメチレンイミジウムヨージドN,N-ジメチルメタンイミニウム・ヨージドジメチル(メチレン)イミニウム・ヨージドメチレンジメチルイミニウム・ヨージドN-メチル-N-メチレンメタンアミニウム・ヨージドDIMETHYL METHYLENEIMMONIUM IODIDEeneammonium IodideEschenmoser's salt ,97%eschenmoser's iodide saltdimethyl(methylidene)azaniumdimethylmethylammonium iodideMethylenedimethyliminium·iodide
DIMETHYL(METHYLENE)AMMONIUM IODIDE [MI]N,N-DIMETHYLAMINOMETHYLENEAMMONIUM IODIDERefChem:588402DTXCID20320151N,NDimethylmethyleneammonium iodide36627-00-6DTXSID10369115dimethyl(methylidene)azanium iodide
データベース識別子
- CAS
33797-51-2- PubChem CID
- 2724133
- UNII
- 5C42I004S1
- EC Number
- 251-680-2
物性
構造計算による物性
- 極性表面積
- 3 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
- 0
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 26.3
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionColorless solid; [Merck Index] Light yellow powder; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 219 °C · 219 °C (dec.)(lit.)
- 比重(密度)
- 1.7217 · 1.7217 (estimate)
- 貯蔵温度
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 溶解性
- ジメチルホルムアミドに可溶。アセトニトリル、テトラヒドロフラン、およびジクロロメタンに部分的に溶解します。
- 外見
- 結晶性粉末
- 色
- クリーム色から黄色
- 水溶解度
- 50 mg/mL, · water: soluble 50mg/mL, clear to slightly hazy, colorless to yellow
- Merck
- 14 · 14,3251
- BRN
- 3594966 · 3594966
- InChI
- InChI=1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1
- InChIKey
- VVDUZZGYBOWDSQ-UHFFFAOYSA-M
- SMILES
- [N+](=C)(C)C.[I-]
- CAS データベース
- 33797 · 33797-51-2(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全と保護具
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)
安全データ
- F
- 8-10-21
- wgk
- 3
- hs_code
- 29239000
- risk_code
- 36/37/38
- 安衛法
- 57,57-2
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesUsed in organic synthesis; [Merck Index]
応用分野
説明N, N-Dimethylmethyleneammonium iodide (DMMIA) is a versatile quaternary ammonium compound characterized by its unique chemical structure and widely utilized in scientific research. This colorless salt readily dissolves in water and has a melting point of 197°C. DMMIA is a crucial reagent in various laboratory experiments, contributing significantly to synthesis processes. Moreover, it finds application in biochemical studies, showcasing diverse biochemical and physiological effects. Its importance in scientific research is evident, as it serves as a reagent for organic synthesis, a catalyst for alcohol oxidation, and a key component in producing heterocyclic compounds. Additionally, it is utilized in synthesizing surfactants and other amphiphilic molecules. Furthermore, DMMIA aids in studying enzyme kinetics by effectively inhibiting certain enzyme activities.
使用In organic synthesis.
一般的な説明N,N-Dimethylmethyleneiminium iodide is useful reagent for many synthetic applications, especially aminomethylation and conversion of ketones to α,βunsaturated enones.
上流・下流製品情報
上流原料
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