トリフルオロメタンスルホン酸エチル

Ethyl trifluoromethanesulphonate

HCID 67924CAS 425-75-2

基本情報

標準SMILES
CCOS(=O)(=O)C(F)(F)F
InChIKey
UVECLJDRPFNRRQ-UHFFFAOYSA-N
分子式
C3H5F3O3S
平均分子量
178.13 g/mol
単同位体質量
177.99114968

名称と識別子

優先名称
Ethyl trifluoromethanesulphonate
IUPAC
ethyl trifluoromethanesulfonate
現地名
トリフルオロメタンスルホン酸エチル
英語名
Ethyl trifluoromethanesulfonate
分子式
C3H5F3O3S
分子量
178.13

名称と別名

Ethyl trifluoromethanesulfonate425-75-2Ethyl trifluoromethanesulphonateEINECS 207-037-3DTXSID3059979Methanesulfonic acid, 1,1,1-trifluoro-, ethyl esterRefChem:596427DTXCID0040123207-037-3Ethyl TriflateTrifluoromethanesulfonic acid ethyl esterC3H5F3O3S
名称をさらに表示
トリフルオロメタンスルホン酸エチルエチルトリフラートトリフルオロメタンスルホン酸エチル, 99%エチル トリフルオロメタンスルホナートEthyl trifluoromethanesulfEthyltrifluormethansulfonatEthyl trifluoromethanesulfoteEthyl trifluoromethesulfonateETHYL TRIFLUROMETHANSULFONATEEthyl trifluoromethylsulfonateEthyl trifluoroMethanesulfonatETHYL TRIFLURO METHANESULFONATE
ethyltrifluoromethanesulfonateMethanesulfonic acid, trifluoro-, ethyl esterMFCD00000410ethyl (trifluoromethyl)sulfonateEthyl trifiateEtOTfSCHEMBL47322ethyl trifluoromethane sulfonate

データベース識別子

CAS
425-75-2
PubChem CID
67924
DTXSID
DTXSID3059979
EC Number
207-037-3
Nikkaji
J196.102K

物性

構造計算による物性

XLogP
1.2
極性表面積
51.8 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
2
重原子数
10

物理化学的性質

沸点
115 °C · 115 °C (lit.)
比重(密度)
1.374 g/mL · 1.374 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.336(lit.)
闪点
96 °F · 96 °F
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
クロロホルム、メタノール(微量)

化学的性質

化学的特性Clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationMethanesulphonic acid, trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F
3
wgk
2
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
hs_code
29049090
risk_code
10-34

化学と産業

用途と製造

General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, ethyl ester: ACTIVE
応用分野 · 2 件

説明Ethyl trifluoromethanesulfonate is a cationic polymerization agent used to produce polyurethane, polyacrylate, and other synthetic resins. It is an effective drug for the treatment of HIV infection and chronic bronchitis. Ethyl trifluoromethanesulfonate has been shown to inhibit the replication of HIV-1 virus at concentrations as low as 1 μM when tested in vitro. The mechanism of this drug's anti-HIV activity is unknown and may involve the inhibition of reverse transcriptase or proteases. Ethyl trifluoromethanesulfonate can be detected in vivo up to 4 hours after administration. This drug is metabolized into trifluoroacetic acid by esterases, glycosidases, and/or oxidases.

使用Ethyl trifluoromethanesulfonate is a powerful ethylating agent. due to the strong electron-absorbing ability of trifluoromethanesulfonyl, the reactivity is much higher than that of conventional alkylation reagents such as bichloride or alkyl sulfonate.

調製方法 · 1 件

純化方法The ester reacts slowly with H2O and aqueous alkali. If its IR has no OH bands (~3000 cm-1) then purify it by redistillation. If OH bands are present, then dilute with dry Et2O and shake (carefully) with aqueous NaHCO3 until effervescence ceases, then wash with H2O and dry (MgSO4), filter, evaporate and distil the residue under a slight vacuum then at atmospheric pressure in a N2 atmosphere. IT IS A POWERFUL ALKYLATING AGENT, AND THE FUMES ARE VERY TOXIC — PERFORM ALL OPERATIONS IN AN EFFICIENT FUME CUPBOARD. [Gramstad & Haszeldine J Chem Soc 173 1956, Howells & McCown Chem Rev 77 69 1977, Beilstein 3 IV 34.]

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関連反応

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