트리플루오로에탄올

2,2,2-트리플루오로에탄올 · 트리플루오로에탄올 · TFE · CF3CH2OH · TRIFLUOROETHANOL · TFEA · 2,2,2-Trifluorethanol · 2,2,2-Trifluoroethan

식별자 및 물리적 특성

CAS No.	75-89-8
분자식	C2H3F3O
평균 분자량	100.04 g/mol
단동위원소 질량	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
현지명	트리플루오로에탄올

화학 및 물리적 성질

XLogP	0.4
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	6
형식 전하	0
복잡도	38.5
물질 분류	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
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Schoenflies notation
LogP(분배 계수)	0.32
밀도	1.288 @25 °C1.391 g/mL at 20 °C
녹는점	-44 °C−44 °C(lit.)
증기압	71.3 [mmHg]70 mm Hg ( 25 °C)
Physical Description	LiquidColorless liquid with an ethanol-like odorbp = 74.1 deg C[Merck Index]
끓는 점	77-80 °C(lit.)
증기 밀도	3.5 (vs air)
굴절률	n20/D 1.3(lit.)
인화점	85 °F
저장 조건	Store below +30°C.
용해도	클로로포름, 메탄올에 용해됨
pKa(산도 계수)	12.4(at 25℃)
물리적 상태	액체
색상	무색의
비중	1.373
냄새	알코올 냄새
pH	7
생물학적 소스	goat
폭발한계	8.4-28.8%(V)
용해도	물, 에테르, 케톤, 알코올 및 클로로포름과 혼합 가능합니다.
Merck	14,9682
BRN	1733203
헨리 상수	4.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
유전율	8.5500000000000007
안정성	안정적인. 가연성 - 폭넓은 폭발 한계에 유의하십시오. 수분에 민감합니다. 강한 산화제, 강산, 나트륨, 칼륨과 호환되지 않습니다.
주요 응용	시료 준비
InChI	1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey	RHQDFWAXVIIEBN-UHFFFAOYSA-N
SMILES	OCC(F)(F)F
NIST	Ethanol, 2,2,2-trifluoro-(75-89-8)
EPA	2,2,2-Trifluoroethanol (75-89-8)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류	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.
규제 정보	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
유해성 요약	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]
유해 작용	Neurotoxin - Acute solvent syndrome
Toxicity Data	LC50 (rat) = 470 ppm/6h
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
RTECS 번호	KM5250000
운송 번호(UN)	UN 1986 3/PG 3
독성	LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rat 1680 mg/kg
관세 코드	29055910
위험 문구(R)	10-20/21/22-37/38-41-62-38-36/37/38
위험 표시	Xn,T,F
안전 문구(S)	26-36-39-45-36/37/39-16
포장분류	III
위험 등급	3Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Repr. 1BSTOT RE 2 Inhalation
위험 참고 사항	Flammable/Toxic
자연 발화 온도	~896 °F
저장 분류	3 - Flammable liquids
함량 및 규제정보	물질구분: 유독물질혼합물(제품)함량정보: 2,2,2-트리플루오로에탄올 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링	2016-1-724(신규화학물질)

용도

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