2,2,2-トリフルオロエタノール

2,2,2-トリフルオロエタノール · トリフルオロエタノール · 2,2,2-トリフルオロエタン-1-オール · 2,2,2-トリフルオロエチルアルコール · 2,2,2-トリフルオロエタノ-ル · 1H,1H-トリフルオロエタノール · 2,2,2‐トリフルオロエタノール · 2,2,2-トリフルオロエタノール ELUENT ADDITIVE FOR LC-MS

https://huagongshe.com/ja/chemical/6409

識別子と物理属性

CAS No.	75-89-8
分子式	C2H3F3O
平均分子量	100.04 g/mol
単同位体質量	100.01359938 g/mol
SMILES	OCC(F)(F)F
InChIKey	RHQDFWAXVIIEBN-UHFFFAOYSA-N
PubChem CID	6409
ChEMBL	CHEMBL116675
ChEBI	CHEBI:42330
EC No.	200-913-6
DTXSID	DTXSID0021751
現地名	2,2,2-トリフルオロエタノール

化学・物理的性質

XLogP	0.4
極性表面積	20.2
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	0
重原子数	6
形式電荷	0
複雑度	38.5
物質分類	Other Classes -> Halogenated Alcohols
PFAS	PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> F-telomer alcohols (FTOH)PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
医薬品	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Schoenflies notation
LogP（分配係数）	0.32
密度	1.288 @25 °C1.391 g/mL at 20 °C
融点	-44 °C−44 °C(lit.)
蒸気圧	71.3 [mmHg]70 mm Hg ( 25 °C)
Physical Description	LiquidColorless liquid with an ethanol-like odorbp = 74.1 deg C[Merck Index]
沸点	77-80 °C(lit.)
蒸気密度	3.5 (vs air)
屈折率	n20/D 1.3(lit.)
引火点	85 °F
貯蔵条件	Store below +30°C.
溶解度	soluble in Chloroform, Methanol水、エーテル、ケトン、アルコール、クロロホルムと混和します。
pKa（酸解離定数）	12.4(at 25℃)
外観・状態	液体
色	無色透明
比重	1.373
臭い	アルコール臭
pH	7
由来生物	goat
爆発限界	8.4-28.8%(V)
Merck	14,9682
BRN	1733203
ヘンリー定数	4.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
誘電率	8.5500000000000007
安定性	安定。可燃性 - 幅広い爆発限界に注意してください。湿気に敏感。強力な酸化剤、強酸、ナトリウム、カリウムとは相容れない。
主な用途	試料調製
InChI	1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey	RHQDFWAXVIIEBN-UHFFFAOYSA-N
SMILES	OCC(F)(F)F
CAS データベース	75-89-8(CAS DataBase Reference)
NISTの化学物質情報	Ethanol, 2,2,2-trifluoro-(75-89-8)
EPAの化学物質情報	2,2,2-Trifluoroethanol (75-89-8)

化学的特性

Colorless liquid

安全性と法規制

TSCA 収載状態
GHS 分類	This chemical does not meet GHS hazard criteria for 0.6% (1 of 169) of reports.DangerH226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 169 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: Ethanol, 2,2,2-trifluoro-Ethanol, 2,2,2-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2,2-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/137412,2,2-Trifluoroethanol: Does not have an individual approval but may be used under an appropriate group standard
有害性の概要	A skin irritantCorrosive to eyes[eChemPortal: ERMA] An irritantCauses CNS depression in high-dose animal studies[MSDSonline] In a 4-week inhalation study of rats exposed at 50 ppm, decreased testicular weight and hypospermatogenesis were observed. No adverse effects were observed in rats exposed to 10 ppm. A cluster of 5 exposed workers were reported to have smaller testicles. [AIHA]
Hazard Classes and Categories	Flam. Liq. 3 (99.4%)Flammable liquids - Category 3
Protective Action Criteria (PAC)	0.90 [ppm]5.8 [ppm]35 [ppm]
有害作用	Neurotoxin - Acute solvent syndrome
Toxicity Data	LC50 (rat) = 470 ppm/6h
水環境危害等級（WGK）	1

用途

溶剤,医薬?農薬中間体,触媒

使用

2,2,2-Trifluoroethanol (Trifluoroethyl alcohol, TFE) is used to study the conformational states of proteins and the folding refolding processes of proteins.

製法・合成法

純化方法

Dry it with CaSO4 and a little NaHCO3 (to remove traces of acid) and distil it. Highly TOXIC vapour. [Beilstein 1 IV 1370.]