ビス(2-メトキシエチル)アミノサルファートリフルオリド

(Bis(2-methoxyethyl)amino)sulfur trifluoride

HCID 2734690

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 202289-38-1
標準SMILES: COCCN(CCOC)S(F)(F)F
InChIKey: APOYTRAZFJURPB-UHFFFAOYSA-N
分子式: C6H14F3NO2S
平均分子量: 221.24 g/mol
単同位体質量: 221.06973435

概要

structure in first source

名称と識別子

優先名称: (Bis(2-methoxyethyl)amino)sulfur trifluoride
IUPAC: 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-λ4-sulfanyl)ethanamine
現地名: ビス(2-メトキシエチル)アミノサルファートリフルオリド
英語名: Bis(2-methoxyethyl)aminosulfur trifluoride
分子式: C6H14F3NO2S
分子量: 221.24

名称と別名

[Bis(2-methoxyethyl)amino]sulfur trifluoride(bis(2-methoxyethyl)amino)sulfur trifluorideRefChem:568786202289-38-1Bis(2-methoxyethyl)aminosulfur trifluorideDeoxo-FluorDeoxy-fluorBASTBis(2-methoxyethyl)aminosulphurtrifluorideC6H14F3NO2S2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamineMFCD01321415

名称をさらに表示

ビス(2-メトキシエチル)アミノサルファートリフルオリドビス(2-メトキシエチル)アミノ硫黄=トリフルオリド三ふっ化ビス(2-メトキシエチル)アミノ硫黄, 50% SOLUTION IN THF三ふっ化ビス(2-メトキシエチル)アミノ硫黄ビス(2-メトキシエチル)アミノサルファートリフルオリド (約50%テトラヒドロフラン溶液)[ビス(2-メトキシエチル)アミノ]硫黄トリフルオリド,トルエン溶液,AcroSealＲBIS(2-METHOXYETHYL)AMINO-SULFUR TRIFLUORIDEdeoxo-fluor solutionDeoxo-Fluor/BAST1,1,1-trifluoro-N,N-bis(2-methoxyethyl)-l4-sulfanamineBis(2-methoxyethyl)aminosulfur Trifluoride (ca. 50% in Tetrahydrofuran)phur trifLDeoxo-Fluor(R) solution

bis(2-methoxyethyl)(trifluoro-lambda4-sulfanyl)amineA6219390VZSulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-Deoxo-Fluor(R)(bis-(2-methoxyethyl)amino)sulfur trifluoride[bis-(2-methoxyethyl)amino]sulfur trifluorideDeoxo-flourUNII-A6219390VZ

データベース識別子

CAS: 202289-38-1
PubChem CID: 2734690
DTXSID: DTXSID5074898
UNII: A6219390VZ
EC Number: 478-190-3、630-397-1
Nikkaji: J1.214.074F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 22.7 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 6
重原子数: 13
形式電荷: 0
複雑度: 126

物理化学的性質

沸点: 80 °C · >80°C
比重(密度): 1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
屈折率: 1.427 to · 1.4270 to 1.4310
闪点: 205 °F · 205 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
酸解離定数(Pka): -7.46 · -7.46±0.70(Predicted)
比重: 1.2 · 1.2
色: クリアイエロー
Merck: 14 · 14,2897
InChI: InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3
InChIKey: APOYTRAZFJURPB-UHFFFAOYSA-N
SMILES: N(CCOC)(CCOC)S(F)(F)F
CAS データベース: 202289 · 202289-38-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)- (202289-38-1)

化学的性質

化学的特性Dark yellow-orange liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H201 (33.8%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]

P210, P230, P231+P232, P240, P250, P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P370+P380, P372, P373, P401, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H261 (50%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8716

Hazard Classes and Categories · 2 件

Water-react. 2 (50%)

Expl. 1.1 (33.8%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN REST
hs_code: 29319090
risk_code: 14-23/25-29-35-67-65-63-48/20-25-11-40-37-19
消防法: 危-4-3-III
hazard_code: T,C,F
hazard_note: Toxic/Corrosive
safety_code: 23-26-36/37/39-43-45-8-62-46-25-16
hazard_class: KEEP COLD, CORROSIVE
packing_group: Ⅰ
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralCarc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1ASTOT SE 3Water-react 2
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water