트리플루오로에탄올
2,2,2-Trifluoroethanol
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기본 정보
- CAS
75-89-8- 표준 SMILES
OCC(F)(F)F- InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N- 분자식
- C2H3F3O
- 평균 분자량
- 100.04 g/mol
- 단동위원소 질량
- 100.01359938
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 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 20.2 Ų
- 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
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
Melting Point-44 °C
Vapor Pressure71.3 [mmHg]
Physical Description
Liquid
Colorless liquid with an ethanol-like odor; bp = 74.1 deg C; [Merck Index]
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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
Flam. Liq. 3 (99.4%)
Flammable liquids - Category 3
안전 및 보호
Protective Action Criteria (PAC)
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
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
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.
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