2,2,2-Trifluoroethanol (HCID 6409)

개요

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

이름 및 식별자

우선 이름: 2,2,2-Trifluoroethanol
IUPAC: 2,2,2-trifluoroethanol
현지명: 트리플루오로에탄올
영어명: 2,2,2-Trifluoroethanol
분자식: C2H3F3O
분자량: 100.04

이름 및 동의어

2,2,2-TRIFLUOROETHANOL75-89-8TrifluoroethanolEthanol, 2,2,2-trifluoro-2,2,2-Trifluoroethyl alcoholTrifluoroethyl alcoholFluorinol 85DTXSID0021751beta,beta,beta-Trifluoroethyl alcohol8T8I76KYF1NSC-451DTXCID401751

이름 더 보기

2,2,2-트리플루오로에탄올트리플루오로에탄올TFEA2,2,2-Trifluorethanol2,2,2-TrifluoroethanTrifluoro Ethanol(L)2,2,2-TRIFLUROETHANOLTFETOH

CHEBI:42330Alcohol, TrifluoroethylRefChem:191590200-913-62,2,2-Trifluoroethan-1-OlTFECF3CH2OHNSC 451

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 20.2 Å²
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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Alcohols

PFAS · 3건

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

물리화학적 성질

녹는점: 44 °C · −44 °C(lit.)
끓는 점: 77 · 77-80 °C(lit.)
밀도: 1.391 g/mL · 1.391 g/mL at 20 °C
증기 밀도: 3.5 · 3.5 (vs air)
증기압: 70 mm · 70 mm Hg ( 25 °C)
굴절률: 20 · n20/D 1.3(lit.)
인화점: 85 °F · 85 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 12.4 · 12.4(at 25℃)
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.373 · 1.373
냄새: 알코올 냄새
수소이온지수(pH): 7 · 7
생물학적 소스: goat
폭발한계: 8.4 · 8.4-28.8%(V)
수용성: 물, 에테르, 케톤, 알코올 및 클로로포름과 혼합 가능합니다.
Merck: 14 · 14,9682
BRN: 1733203 · 1733203
Henry's Law Constant: 4.7 · 4.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Dielectric constant: 8.55 · 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: 2 · Ethanol, 2,2,2-trifluoro-(75-89-8)
EPA: 2 · 2,2,2-Trifluoroethanol (75-89-8)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 4건

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 · 1건

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 · 2건

Flam. Liq. 3 (99.4%)

Flammable liquids - Category 3

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.90 [ppm]

5.8 [ppm]

35 [ppm]

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (rat) = 470 ppm/6h

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: KM5250000
ridadr: UN 1986 3/PG 3
독성: LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rat 1680 mg/kg
HS 번호: 29055910
risk_code: 10-20/21/22-37/38-41-62-38-36/37/38
hazard_code: Xn,T,F
safety_code: 26-36-39-45-36/37/39-16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable/Toxic
자연 발화 온도: ~896 °F
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Repr. 1BSTOT RE 2 Inhalation
스토리지 클래스: 3 - Flammable liquids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 2,2,2-트리플루오로에탄올 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2016-1-724(신규화학물질)

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

Pharmaceutical and Medicine Manufacturing

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

응용 분야

용도2,2,2-Trifluoroethanol (Trifluoroethyl alcohol, TFE) is used to study the conformational states of proteins and the folding refolding processes of proteins.

상·하류 제품 정보

상류 원료

2,2,2-Trifluorodiazoethane Benzene, [(2,2,2-trifluoroethoxy)methyl]-4-(prop-1-en-2-yl)phenyl acetate

하류 제품

6-(2,2,2-Trifluoroethoxy)nicotinic acid 3,3,3-Trifluoropropionic acid 2-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid 트리플루오로아세트알데히드 수화물 Tris(2,2,2-trifluoroethyl)phosphate 포란 2-클로로메틸-3-메틸-4-(2,2,2-트리플루오로에톡시)피리딘염산염 1,1,1,2-테트라플루오로에테인 2-클로로-1,1,1-트리플루오로에탄 1-펜텐-3-인 1,3,2-Dioxaphospholane, 2-(2,2,2-trifluoroethoxy)-, 2-oxide 2-히드록시-1,3,2-디옥사포스폴란2-산화물

공급사50 곳

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]

연결된 노트

불러오는 중…

트리플루오로에탄올

기본 정보

개요