基本情報
- CAS
4333-62-4- 標準SMILES
Cn1cc[n+](C)c1.[I-]- InChIKey
ARSMIBSHEYKMJT-UHFFFAOYSA-M- 分子式
- C5H9IN2
- 平均分子量
- 224.04 g/mol
- 単同位体質量
- 223.98105
名称と識別子
- 優先名称
- 1,3-Dimethylimidazolium Iodide
- IUPAC
- 1,3-dimethylimidazol-1-ium iodide
- 現地名
- 1,3-ジメチルイミダゾリウムヨージド
- 英語名
- 1,3-Dimethylimidazolium iodide
- 分子式
- C5H9IN2
- 分子量
- 224.04283
名称と別名
名称をさらに表示
データベース識別子
- CAS
4333-62-4- PubChem CID
- 20334
- DTXSID
DTXSID40962991- ChEMBL
CHEMBL1214173- ChEBI
CHEBI:61324- EC Number
- 801-371-9
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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 55
物理化学的性質
- 融点
- 84 to · 84.0 to 89.0 °C
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- crystalline solid
- 色
- Lemon/yellow
- InChI
- InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1
- InChIKey
- ARSMIBSHEYKMJT-UHFFFAOYSA-M
- SMILES
- N1(C)C=C[N+](C)=C1.[I-]
化学的性質
化学的特性White to almost white crystalline powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.;There are 2 notifications provided by 40 of 41 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- rtecs
- NJ5038500
- hs_code
- 29332900
- 安衛法
- 57,57-2
化学と産業
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義ChEBI: An organic iodide salt in which the cationic component is 1,3-dimethylimidazolium.
関連反応
化合物ノート
読み込み中…