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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 97.1
실험 및 물리화학적 성질
Chemical Classes
Ionic Liquids
Ionic Liquids -> Fluorinated Ionic Liquids
PFAS
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
Density
1.596 at 68 °F (NTP, 1992) - Denser than water; will sink
1.46 @25 °C
Flash Point
greater than 200 °F (NTP, 1992)
Flash point > 93 °C
Boiling Point
138 °F at 760 mmHg (NTP, 1992)
59 °C @760 [mm Hg]
Vapor Pressure
158 mmHg at 72 °F ; 556 mmHg at 124 °F; 1468 mmHg at 167 °F (NTP, 1992)
159.0 [mmHg]
Physical Description
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.
Liquid; Gas Vapor
Colorless to light colored liquid; [CAMEO] Melting point = -4 deg C; Miscible in water; [MSDSonline]
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
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- soluble in Chloroform, Ethyl Acetate
- 산도 계수 (pKa)
- 1 · pK1:9.42 (25°C)
- 물리적 상태
- 고체
- Specific Gravity
- 1.596 · 1.596
- 색상
- 흰색에서 노란색으로
- 수소이온지수(pH)
- 3 · 3-4 (H2O)Aqueous solution
- 수용성
- 1000 g/L · 1000g/L(25℃)
- BRN
- 1841007 · 1841007
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
- 안정성
- 안정적인. 강산, 강염기, 알칼리 금속과 호환되지 않습니다.
- InChI
- 1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
- InChIKey
- BYEAHWXPCBROCE-UHFFFAOYSA-N
- SMILES
- OC(C(F)(F)F)C(F)(F)F
- LogP
- 1.5 at · 1.5 at 25℃
- 표면장력
- 67.1 mN/m · 67.1mN/m at 1g/L and 19.8℃
- NIST
- 2 · 2-Propanol, 1,1,1,3,3,3-hexafluoro-(920-66-1)
- EPA
- 1 · 1,1,1,3,3,3-Hexafluoro-2-propanol (920-66-1)
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
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
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
Health Hazards
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.
안전 및 보호
First Aid
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
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.
Protective Action Criteria (PAC)
1.3 [ppm]
15 [ppm]
87 [ppm]
독성 정보
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
- risk_code
- 20/22-34
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-18542
- F 고인화성물질
- 27
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Eye Dam. 1Repr. 2Skin Corr. 1ASTOT RE 2
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
2-Propanol, 1,1,1,3,3,3-hexafluoro-: ACTIVE
응용 분야
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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
연결된 노트
불러오는 중…