基本情報
- CAS
16731-68-3- 標準SMILES
CCCCCCCCCCCc1ncc[nH]1- InChIKey
LLEASVZEQBICSN-UHFFFAOYSA-N- 分子式
- C14H26N2
- 平均分子量
- 222.37 g/mol
- 単同位体質量
- 222.20959884
名称と識別子
- 優先名称
- 1H-Imidazole, 2-undecyl-
- IUPAC
- 2-undecyl-1H-imidazole
- 現地名
- 2-ウンデシルイミダゾール
- 英語名
- 2-N-UNDECYLIMIDAZOLE
- 分子式
- C14H26N2
- 分子量
- 222.37
名称と別名
名称をさらに表示
データベース識別子
- CAS
16731-68-3- PubChem CID
- 85582
- DTXSID
DTXSID5066114- EC Number
- 240-796-9
- Nikkaji
- J183.802D
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 28.7 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
- 10
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 148
物理化学的性質
- 融点
- 69 · 69-74 °C (dec.)(lit.)
- 沸点
- 215 °C20 · 215 °C20 mm Hg(lit.)
- 比重(密度)
- 0.97 · 0.9700 (rough estimate)
- 屈折率
- 1.475 · 1.4750 (estimate)
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 14.4 · 14.40±0.10(Predicted)
- 色
- White to Almost white
- InChI
- InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
- InChIKey
- LLEASVZEQBICSN-UHFFFAOYSA-N
- SMILES
- C1(CCCCCCCCCCC)NC=CN=1
- CAS データベース
- 16731 · 16731-68-3(CAS DataBase Reference)
- EPAの化学物質情報
- 1 H-Imidazole, · 1H-Imidazole, 2-undecyl- (16731-68-3)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Regulatory Information
Chemical: 1H-Imidazole, 2-undecyl-
1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
法規制情報
Regulatory Information
Chemical: 1H-Imidazole, 2-undecyl-
1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.29.9000
- risk_code
- 36/37/38
- 化審法
- (5)-383
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
応用分野
用途有機合成原料。
使用2-n-undecylimidazole is an important organic compound that can be used as a catalyst for the synthesis of high thermal conductive composite membranes.
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