(Diethylamino)sulfur trifluoride (HCID 123472)

概要

fluorinating agent for carbohydrates

名称と識別子

優先名称: (Diethylamino)sulfur trifluoride
IUPAC: N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine
現地名: (ジエチルアミノ)サルファートリフルオリド
英語名: Diethylaminosulfur trifluoride
分子式: C4H10F3NS
分子量: 161.19

名称と別名

Diethylaminosulfur trifluoride38078-09-0DAST(Diethylamino)sulfur trifluoride78622BV6IJDTXSID20191484RefChem:133474DTXCID30113975253-771-2(Diethylamino)sulphur trifluoridediethylaminosulfurtrifluoridediethylaminosulphur trifluoride

名称をさらに表示

(ジエチルアミノ)サルファートリフルオリド(ジエチルアミノ)硫黄(IV)トリフルオリドトリフルオロ(ジエチルアミノ)硫黄(IV)DAST【ふっ素化剤】ジエチルアミノトリフルオロ硫黄(IV)ダストジエチルアミノ硫黄(IV)トリフルオリド(ジエチルアミノ)トリフルオロ硫黄(IV)三フッ化(ジエチルアミノ)硫黄ジエチルアミノ硫黄トリフルオリドサルファートリフルオリドジエチルアミンコンプレックスジエチルアミノ硫黄=トリフルオリド(ジエチルアミノ)硫黄トリフルオリド溶液ジエチルアミノ硫黄トリフルオリド, 95%トリフルオロチオ(IV)ジエチルアミンジエチル(トリフルオロ-λ4-スルファニル)アミン1,1-ジエチル-2,2,2-トリフルオロ-2-チア(IV)-1-アザエタンET2NSF3Diethylamine sulfur trifluoride(N,N-diethylamino)sulfurtrifluorideamino)suLfur trifL(beta-4)-sulfu(T-4)-(N-ethyl

diethylaminosulphurtrifluorideN-ETHYL-N-(TRIFLUORO-LAMBDA4-SULFANYL)ETHANAMINEMFCD00000363C4H10F3NS(DIETHYLAMINO)TRIFLUOROSULFURSulfur, (N-ethylethanaminato)trifluoro-, (T-4)-diethyl(trifluoro-lambda4-sulfanyl)aminediethyl aminosulfurtrifluoride

データベース識別子

CAS: 38078-09-0
PubChem CID: 123472
DTXSID: DTXSID20191484
UNII: 78622BV6IJ
EC Number: 253-771-2
Nikkaji: J208.430I

物性

構造計算による物性

XLogP: 3.5
極性表面積: 4.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 78.4

実験および物理化学的性質

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学的性質

沸点: 30 · 30-32 °C3 mm Hg(lit.)
比重(密度): 1.22 g/mL · 1.22 g/mL at 25 °C(lit.)
屈折率: 1.41 · 1.41-1.416
闪点: 75 °F · 75 °F
貯蔵温度: 2 · 2-8°C
溶解性: Benzene, Chloroform (Slightly)
酸解離定数(Pka): -4.87 · -4.87±0.70(Predicted)
外見: 液体
比重: 1.22 · 1.220
色: Colorless to Yellow to Orange
水溶解度: 分解する
Merck: 14 · 14,3113
BRN: 1849066 · 1849066
安定性: Reacts with Moisture in the Air, Reacts With Moisture In The Air, Unstable in So
InChI: 1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3
InChIKey: CSJLBAMHHLJAAS-UHFFFAOYSA-N
SMILES: CCN(CC)S(F)(F)F
CAS データベース: 38078 · 38078-09-0(CAS DataBase Reference)
NISTの化学物質情報: Diethylaminosulfur trifluoride(38078-09-0)

化学的性質

化学的特性Pale yellow liquid. Soluble in most non-polar organic solvents, commonly used in CH2Cl2, CHCl3 and CCl4.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationDiethylaminosulphur trifluoride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

CSL Reaction Information · 6 件

CSL00075

WATER + DIETHYLAMINOSULFUR TRIFLUORIDE

DAST alone at >90C explodes or in combination with water

Explosive

User-Reported

7/8/18

安全データ

F: 3-10-21
wgk: 3
ridadr: UN 2920 8/PG 1
hs_code: 29309070
risk_code: 10-14-20/21/22-34-5-35-40
消防法: 危-4-2-III
hazard_code: C,T,F
hazard_note: Corrosive/Keep Cold
safety_code: 16-26-36/37/39-45
hazard_class: 8
packing_group: I
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Self-react. DSkin Corr. 1A
ストレージクラス: 5.2 - Organic peroxides and self-reacting hazardous materials

化学と産業

応用分野

用途有機合成化学においてフッ素化試薬として用いられる化合物。略称は DAST。

使用Diethylaminosulfur Trifluoride is a very useful Nucleophilic fluorinating agent in chemical synthesis. It is also used as a reagent in the preparation of 2-thiazolines from (1,2)-thioam ido-alcohols.