1,1,1,3,3,3-헥사플루오로-2-프로판올

1,1,1,3,3,3-Hexafluoro-2-propanol

HCID 13529CAS 920-66-1

기본 정보

표준 SMILES
OC(C(F)(F)F)C(F)(F)F
InChIKey
BYEAHWXPCBROCE-UHFFFAOYSA-N
분자식
C3H2F6O
평균 분자량
168.04 g/mol
단동위원소 질량
168.000984

개요

1,1,1,3,3,3-hexafluoro-2-propanol is a clear colorless oily liquid with an aromatic odor. (NTP, 1992) Combustible, may cause burns to skin, eyes and mucous membranes.

이름 및 식별자

우선 이름
1,1,1,3,3,3-Hexafluoro-2-propanol
IUPAC
1,1,1,3,3,3-hexafluoropropan-2-ol
현지명
1,1,1,3,3,3-헥사플루오로-2-프로판올
영어명
1,1,1,3,3,3-Hexafluoro-2-propanol
분자식
C3H2F6O
분자량
168.04

이름 및 동의어

1,1,1,3,3,3-Hexafluoro-2-propanol920-66-1Hexafluoroisopropanol1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OLHFIPHexafluoroisopropyl alcohol1,1,1,3,3,3-HexafluoroisopropanolBis(trifluoromethyl)methanol2H-Hexafluoroisopropanol1,1,1,3,3,3-Hexafluoroisopropyl alcohol2-Propanol, 1,1,1,3,3,3-hexafluoro-2,2,2-Trifluoro-1-(trifluoromethyl)ethanol
이름 더 보기
1,1,1,3,3,3-헥사플루오로-2-프로판올헥사플루오로-2-프로판올헥사플루오로이소프로필알코올1,1,1,3,3,3-헥사플루오로-2-프로판올(1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL)HFPHFIPAHEXAFLUORO-2-PROPANOL(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl formatecatalase enzymeN-benzyl-3-methoxy-2-(N-methylacetamido)propanamide1,1,1,3,3,3-HEXAFLUOROPROPANOL
Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-1,1,1,3,3,3-Hexafluoro-2-hydroxypropane3D632GYQ50NSC-96336CHEBI:63104RefChem:786091213-059-4hexafluoropropanol

데이터베이스 식별자

CAS
920-66-1
PubChem CID
13529
DTXSID
DTXSID1022134
ChEMBL
CHEMBL1231750
ChEBI
CHEBI:63104
UNII
3D632GYQ50
EC Number
213-059-4
Nikkaji
J50.987F

물성

구조 계산 물성

XLogP
1.7
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical Classes · 2건

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 4건

PFAS

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

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

PFAS -> Identified in migrating and extractable food contact chemical data

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesSchoenflies notation
LogP1.66
Density · 2건

1.596 at 68 °F (NTP, 1992) - Denser than water; will sink

1.46 @25 °C

물리화학적 성질

녹는점
4 °C · −4 °C(lit.)
끓는 점
59 °C · 59 °C(lit.)
밀도
1.596 g/mL · 1.596 g/mL at 25 °C(lit.)
증기압
269 hPa · 269 hPa (30 °C)
굴절률
20 · n20/D 1.275(lit.)
인화점
4 · 4,4°C

화학적 성질

1,1,1,3,3,3-Hexafluoro-2-propanol (HFIP) is a clear, colorless, oily, combustible liquid. Odor is described as aromatic.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 200 reports by companies from 30 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Propanol, 1,1,1,3,3,3-hexafluoro-

2-Propanol, 1,1,1,3,3,3-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,1,1,3,3,3-hexafluoro- 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: 05-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21690

1,1,1,3,3,3-Hexafluoro-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound include a burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, vomiting, abdominal pain; skin irritation, dermatitis, blistering and ulceration of the skin; gangrene, erythema; conjunctivitis, eye injury; dizziness, vertigo, light-headedness; lowered body temperature; cyanosis; respiratory distress; convulsions; collapse; coma; and liver and kidney damage. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.

Hazards SummaryDestructive to tissues and can cause chemical pneumonitis, liver and kidney injury, convulsions, coma, and death; [CAMEO] Corrosive to skin; Harmful by inhalation; Can cause chemical pneumonitis; [MSDSonline]
Reactive GroupAlcohols and Polyols

안전 및 보호

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

1.3 [ppm]

15 [ppm]

87 [ppm]

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 1,974 ppm/4h

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
UB6450000
ridadr
UN 2922 8/PG 2
독성
LD50 orally in Rabbit: 1500 mg/kg
HS 번호
29055910

화학 및 산업

약리 정보

Metabolism/MetabolitesHexafluoroisopropanol has known human metabolites that include (2S,3S,4S,5R)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Tissue LocationsKidney
Cellular LocationsCytoplasm

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

2-Propanol, 1,1,1,3,3,3-hexafluoro-: ACTIVE

응용 분야 · 2건

용도1,1,1,3,3,3-Hexafluoro-2-propanol effects the native state of proteins, denaturing them as well as stabilizing the α-helical conformation of unfolded proteins and polypeptides.

일반 설명1,1,1,3,3,3-Hexafluoro-2-propanol is a solution-phase peptide chemistry solvent. This fluorinated polar solvent of high ionizing power facilitates Friedel–Crafts-type reactions, using covalent reagents in the absence of a Lewis acid catalyst. It also enhances the efficiency of rhodium(I)-catalyzed [4+2] intramolecular cycloaddition of ether-tethered alkynyl dienes and [5+2] cycloaddition of alkynyl vinylcyclopropanes. 1,1,1,3,3,3-Hexafluoro-2-propanol clusters catalyzes the epoxidation of cyclooctene and 1-octene with hydrogen peroxide.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]
INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.

관련 반응

320건

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