テトラブチルアンモニウムフルオリド水和物

1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate

HCID 16211673CAS 22206-57-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
InChIKey: UQCWXKSHRQJGPH-UHFFFAOYSA-M
分子式: C16H38FNO
平均分子量: 279.48 g/mol

名称と識別子

優先名称: 1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate
IUPAC: tetrabutylazanium;fluoride;hydrate
現地名: テトラブチルアンモニウムフルオリド水和物
英語名: Tetrabutylammonium fluoride
分子式: C16H36FN
分子量: 261.46

名称と別名

1-Butanaminium, N,N,N-tributyl-, fluoride, hydrateRefChem:430817Tetrabutylammonium fluoride hydrate22206-57-1Tetrabutylammonium fluoride xhydrate153005-55-1tetrabutylammoniumfluorid hydrattetrabutylazanium;fluoride;hydrateMFCD00149980C16H38FNO1-Butanaminium,N,N,N-tributyl-, fluoride, hydrate (1:1:?)tetra-n-butylammonium fluoride hydrate

名称をさらに表示

テトラブチルアンモニウムフルオリド水和物テトラブチルアンモニウムフルオリド水和物TETRA-N-BUTYLAMMONIUM FLUORIDEuoride trihydrate'FLUORIDE' ON SILICA GELTETRABUTYLAMMONIUM FLUOROIDE HYDRATETetrabutylammoniumfluoridehydrate,98%Tetrabutyl Ammonium Fluoridde HydrateTETRABUTYLAMMONIUM FLUORIDE ON ALUMINATetrabutylaMMoniuM fluoride hydrate 98%

TBAF hydratenBu4NF hydrateN,N,N-Tributyl-1-butanaminium Fluoride Hydrate; Tetra-n-butylammonium Fluoride Hydrate; TBAF Hydrate;TBAF H2OSCHEMBL136460tetrabutylammoniumfluoride hydrateTetrabutylammoniumfluoridexhydratetetrabutylazanium hydrate fluoride

データベース識別子

CAS: 22206-57-1、87749-50-6
PubChem CID: 16211673
EC Number: 684-182-2

物性

構造計算による物性

極性表面積: 1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 12
重原子数: 19
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 62 · 62-63 °C(lit.)
比重(密度): 0.953 g/mL · 0.953 g/mL at 25 °C
屈折率: 20 · n20/D 1.456
闪点: 1 °F · 1 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Methanol (Slightly), Water (Slightly)
外見: 結晶
色: 白い
Merck: 14 · 14,9187
BRN: 3570522 · 3570522
安定性: 吸湿性
InChI: 1S/C16H36N.FH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey: UQCWXKSHRQJGPH-UHFFFAOYSA-M
SMILES: O.[F-].CCCC[N+](CCCC)(CCCC)CCCC
CAS データベース: 22206 · 22206-57-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (97.6%)

安全データ

F: 3
wgk: 3
tsca: No
ridadr: UN 2924 3/PG 2
PRTR法: 第一種指定化学物質
hs_code: 29239000
risk_code: 34
化審法: (2)-186
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用Reactant for preparation of:Double clathrate hydrates at high pressuresCellulose ethersTerminal olefins via dehydrohalogenation reactionsNeutral and zwitterionic 3-carboranyl thymidine analogues for boron neutron capture therapy

一般的な説明Tetrabutylammonium fluoride hydrate is known to be a source of F anion, used in nucleophilic fluorination reactions.