2,2,2-Trifluorethanol

2,2,2-Trifluoroethanol

HCID 6409CAS 75-89-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
OCC(F)(F)F
InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N
Summenformel
C2H3F3O
Durchschnittliche Molmasse
100,04 g/mol
Monoisotopische Masse
100,01359938

Überblick

2,2,2-trifluoroethanol is a fluoroalcohol. It is functionally related to an ethanol.

Namen und Bezeichner

Bevorzugter Name
2,2,2-Trifluoroethanol
IUPAC
2,2,2-trifluoroethanol
Lokaler Name
2,2,2-Trifluorethanol
Englischer Name
2,2,2-Trifluoroethanol
Summenformel
C2H3F3O
Molmasse
100.04

Namen und Synonyme

2,2,2-TRIFLUOROETHANOL75-89-8TrifluoroethanolEthanol, 2,2,2-trifluoro-2,2,2-Trifluoroethyl alcoholTrifluoroethyl alcoholFluorinol 85DTXSID0021751beta,beta,beta-Trifluoroethyl alcohol8T8I76KYF1NSC-451DTXCID401751
Weitere Namen anzeigen
TFEA2,2,2-Trifluorethanol2,2,2-TrifluoroethanTrifluoro Ethanol(L)2,2,2-TRIFLUROETHANOLTFETOH
CHEBI:42330Alcohol, TrifluoroethylRefChem:191590200-913-62,2,2-Trifluoroethan-1-OlTFECF3CH2OHNSC 451

Datenbank-Bezeichner

CAS
75-89-8
PubChem CID
6409
DTXSID
DTXSID0021751
ChEMBL
CHEMBL116675
ChEBI
CHEBI:42330
UNII
8T8I76KYF1
EC Number
200-913-6
Nikkaji
J2.396E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Alcohols
PFAS · 3 Einträge

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesSchoenflies notation
LogP0.32
Density1.288 @25 °C

Physikochemische Eigenschaften

Schmelzpunkt
44 °C · −44 °C(lit.)
Siedepunkt
77 · 77-80 °C(lit.)
Dichte
1.391 g/mL · 1.391 g/mL at 20 °C
Dampfdichte
3.5 · 3.5 (vs air)
Dampfdruck
70 mm · 70 mm Hg ( 25 °C)
Brechungsindex
20 · n20/D 1.3(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.6% (1 of 169) of reports.

Danger

H226 (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.

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

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/13741

2,2,2-Trifluoroethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] An irritant; Causes 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 · 2 Einträge

Flam. Liq. 3 (99.4%)

Flammable liquids - Category 3

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.90 [ppm]

5.8 [ppm]

35 [ppm]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 470 ppm/6h

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 1986 3/PG 3
hs_code
29055910
RTECS-Nr.
KM5250000
risk_code
10-20/21/22-37/38-41-62-38-36/37/38

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used in organic synthesis (anesthetics, pharmaceuticals, and agrochemicals), in polymerizations, as a cleaning solvent, as a working fluid in Rankine-cycle engines, as an eluent in HPLC separations, and as an alternative to CFCs; [Merck Index]

Metal Degreasing [Category: Clean]

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesSolvent
Use ClassificationPFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information · 2 Einträge

Pharmaceutical and Medicine Manufacturing

Ethanol, 2,2,2-trifluoro-: ACTIVE

Anwendungen

Verwenden2,2,2-Trifluoroethanol (Trifluoroethyl alcohol, TFE) is used to study the conformational states of proteins and the folding refolding processes of proteins.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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