テトラブチルアンモニウムヨージド
Tetrabutylammonium Iodide
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基本情報
- CAS
311-28-4- 標準SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[I-]- InChIKey
DPKBAXPHAYBPRL-UHFFFAOYSA-M- 分子式
- C16H36IN
- 平均分子量
- 369.37 g/mol
- 単同位体質量
- 369.18925
名称と識別子
- 優先名称
- Tetrabutylammonium Iodide
- IUPAC
- tetrabutylazanium iodide
- 現地名
- テトラブチルアンモニウムヨージド
- 英語名
- Tetrabutylammonium iodide
- 分子式
- C16H36IN
- 分子量
- 369.37
名称と別名
Tetrabutylammonium iodide311-28-41-Butanaminium, N,N,N-tributyl-, iodide (1:1)1-Butanaminium, N,N,N-tributyl-, iodideNSC-104146M53DT4JNGDTXSID30878092RefChem:896768DTXCID701016152206-220-5Tetra-n-butylammonium iodideTBAI
名称をさらに表示
テトラブチルアンモニウムヨージドテトラ-n-ブチルアンモニウムヨージドテトラブチルアミニウム·ヨージドテトラブチルアンモニウム·ヨージドよう化テトラブチルアンモニウムヨウ化テトラnブチルアンモニウムヨウ化テトラブチルアンモニウム ヨウ化物よう化テトラ-N-ブチルアンモニウムよう化テトラ‐N‐ブチルアンモニウムテトラブチルアンモニウム=ヨージドテトラ-N-ブチルアンモニウム=ヨージドテトラ-n-ブチルアンモニウム=ヨージド, 98%Bu4NITetrabutylammonium iodide, HPLC gradeTETRABUTYLAMMONIUM IODIDE extrapure ARTBA iodideTetrabutylammonium ietrabutylazanium,iodide%, SLR, Fisher Chemical
Tetrabutyl ammonium iodidetetrabutylammoniumiodidetetrabutylazanium iodideTetra-N-butylammoniumjodidtetra butyl ammonium iodideN,N,N-Tributyl-1-butanaminium iodideC16H36INtetrabutyl-ammonium iodide
データベース識別子
- CAS
311-28-4- PubChem CID
- 67553
- ChEMBL
CHEMBL1079248- UNII
- 6M53DT4JNG
- EC Number
- 206-220-5
物性
構造計算による物性補完中
- 極性表面積
- 0 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
- 12
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 116
実験および物理化学的性質
Density1.2 @25 °C
Physical DescriptionWhite hygroscopic crystals; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 141 · 141-143 °C(lit.)
- 沸点
- 145.3 ℃[at · 145.3℃[at 101 325 Pa]
- 比重(密度)
- 1.2 · 1.20
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.1 g/mL · アセトニトリル：0.1 g/mL 無色透明
- 外見
- 結晶性粉末
- 色
- ホワイト～クリーム
- 臭い (Odor)
- アミン様
- 水溶解度
- 水およびメタノールに可溶。ベンゼンに不溶。
- BRN
- 3916152 · 3916152
- 安定性
- 安定。強力な酸化剤とは相容れない。光に敏感。
- InChI
- 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- InChIKey
- DPKBAXPHAYBPRL-UHFFFAOYSA-M
- SMILES
- [I-].CCCC[N+](CCCC)(CCCC)CCCC
- LogP
- 0.869 at · 0.869 at 25℃
- CAS データベース
- 311 · 311-28-4(CAS DataBase Reference)
- EPAの化学物質情報
- Tetrabutylammonium iodide (311-28-4)
化学的性質
化学的特性Tetrabutylammonium iodide is an organic ammonium compound with the molecular formula C16H36IN. white or tan powder. Soluble in water and ethanol, slightly soluble in chloroform and benzene. Stable under normal temperature and pressure.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (75.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (62.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (62.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 409 reports by companies from 18 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: 1-Butanaminium, N,N,N-tributyl-, iodide
Status: Cease Manufacture Update: 06-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19231；Status: Active Update: 23-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32831
1-Butanaminium, N,N,N-tributyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (88.8%)；Eye Dam. 1 (75.3%)；Eye Irrit. 2A (62.1%)；STOT SE 3 (62.3%)；Aquatic Chronic 2 (25.4%)
安全と保護具
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)
Protective Action Criteria (PAC)
6.0 [mg/m3]
66 [mg/m3]
390 [mg/m3]
法規制情報
Regulatory Information
Chemical: 1-Butanaminium, N,N,N-tributyl-, iodide
Status: Cease Manufacture Update: 06-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19231；Status: Active Update: 23-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32831
1-Butanaminium, N,N,N-tributyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS5450000
- 毒性
- LD50 orally in Rabbit: 1990 mg/kg
- hs_code
- 29239000
- risk_code
- 22-36/37/38
- 化審法
- (2)-186
- 安衛法
- 57,57-2
- hazard_code
- Xn
- safety_code
- 26-36-37/39
- 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]=1
化学と産業
薬理情報
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
用途と製造
General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, iodide (1:1): ACTIVE
応用分野
用途ポーラログラフ用。
用途イオンペアクロマトグラフでの酸性物質のカウンターイオン剤。
説明Tetrabutylammonium iodide is a organic ammonium compound, for which all four valences of a nitrogen atom are bonded organically. It is often used as phase-transfer catalysts and ion pair reagents.
使用Tetrabutylammonium iodide is used in the preparation of novel quaternary amines to serve as antibacterial agents in the rise of drug-resistant bacteria,it is also used in phosphonium reversible inhibitors of cholinesterases.
一般的な説明Tetrabutylammonium iodide is a quaternary ammonium salt used in phase-transfer reactions. It is also used in regioselective ether cleavage reactions and as a source of iodide for nucleophilic displacement reactions.
調製方法
純化方法Crystallise the iodide from toluene/pet ether (see entry for the corresponding bromide), acetone, ethyl acetate, EtOH/diethyl ether, nitromethane, aqueous EtOH or water. Dry it at room temperature under a vacuum. It has also been dissolved in MeOH/acetone (1:3, 10mL/g), filtered and allowed to stand at room temperature to evaporate to ca half its original volume. Distilled water (1mL/g) is then added, and the precipitate is filtered off and dried. It can also be dissolved in acetone, precipitated by adding ether and dried in a vacuum at 90o for 2 days. It has also been recrystallised from CH2Cl2/pet ether or hexane, or anhydrous methanol and stored in a vacuum desiccator over H2SO4. [Chau & Espenson J Am Chem Soc 108 1962 1986, Beilstein 4 IV 558.]
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