기본 정보
- CAS
163702-08-7- 표준 SMILES
COC(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
DJXNLVJQMJNEMN-UHFFFAOYSA-N- 분자식
- C5H3F9O
- 평균 분자량
- 250.06 g/mol
- 단동위원소 질량
- 250.0040187
개요
See also: Glycerin; methyl perfluoroisobutyl ether (component of).
이름 및 식별자
- 우선 이름
- Methyl perfluoroisobutyl ether
- IUPAC
- 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
- 현지명
- 2-(다이플루오로메톡시메틸)-1,1,1,2,3,3,3-헵타플루오로프로페인
- 영어명
- Methyl perfluoroisobutyl ether
- 분자식
- C5H3F9O
- 분자량
- 250.06
이름 및 동의어
Methyl perfluoroisobutyl ether163702-08-7perfluoroisobutyl methyl etherPropane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro-HI89P35AAXmethyl nonafluoroisobutyl etherDTXSID5042326UNII-HI89P35AAX1,1,2,3,3,3-HEXAFLUORO-1-METHOXY-2-(TRIFLUOROMETHYL)PROPANE2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropanemethylperfluorobutyletherRefChem:157993
이름 더 보기
2-(다이플루오로메톡시메틸)-1,1,1,2,3,3,3-헵타플루오로프로페인메틸퍼플루오로아이소부틸에터1,1,2,3,3,3-헥사플루오로-1-메톡시-2-(트라이플루오로메틸)프로페인1-메톡시-1,1,2,3,3,3-헥사플루오로메틸프로페인1-메톡시-1,1,2,3,3,3-헥사플루오로트라이플루오로뷰테인1-메톡시-2-(트라이플루오로메틸)-1,1,2,3,3,3-헥사플루오로프로페인메틸 노나플루오로아이소뷰틸 에터메틸 퍼플루오로아이소뷰틸 에터퍼플루오로아이소뷰틸 메틸 에터메틸퍼플루오로보틸에테르Methyl perfluoroisobutyl ether(NOVEC 7100i 7100FNM7100Noah 7100(NOVEC 7100250kg/Drum)
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Ethers
PFAS
PFAS -> Hydrofluoroether
PFAS -> OECD Category
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> Other/unspecified
PFAS -> non-polymer
Vapor Pressure202.0 [mmHg]
Physical Description
Liquid
Clear colorless liquid with a mild ethereal odor; [3M MSDS]
물리화학적 성질
- 끓는 점
- 20 · 20.0±40.0℃ (760 Torr)
- 밀도
- 1.5 · 1.500±0.06 g/cm3 (20 ºC 760 Torr)
- 인화점
- -29.6 · -29.6±23.2℃
- 화장품 원료 기능
- 용제점도 조절
- InChI
- InChI=1S/C5H3F9O/c6-2(7)15-1-3(8,4(9,10)11)5(12,13)14/h2H,1H2
- InChIKey
- JZYGTCBELUZFGX-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(COC(F)F)(F)C(F)(F)F
- LogP
- 3.216 · 3.216 (est)
- EPA
- 2 · Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro- (163702-08-7)
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 78.6% (202 of 257) of all reports.
Warning
H332 (19.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P304+P340, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 257 reports by companies from 4 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 90% (9 of 10) of all reports.
유해성 정보
Regulatory Information
Chemical: Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro-
Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10496
Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Perfluorobutyl methyl ether (Mixed Isomers), also known as Hydrofluoroether-7100 (HFE-7100), is a mixture of approximately 40% methyl nonafluorobutyl ether (CAS# 163702-07-6) and 60% methyl nonafluoroisobutyl ether (CAS# 163702-08-7); Causes eye irritation; [OSHA] A mixture of 20-80% methyl nonafluoroisobutyl ether (CAS# 163702-08-7) and methyl nonafluorobutyl ether (CAS# 163702-07-6); Not expected to cause significant skin or eye irritation; [3M MSDS]
Hazard Classes and Categories
Aquatic Chronic 4 (10%)
화학 및 산업
용도 및 제조
Uses
Used as a cleaning solvent; [3M MSDS]
Metal Degreasing [Category: Clean]
• Spot-free water drying agent [Ref: 3M. 2009a. 3MTM NovecTM 7100 Engineered Fluid - Product Information.]
non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesCleaning agent
Household ProductsInformation on 3 consumer products that contain Methyl Perfluoroisobutyl Ether in the following categories is provided:
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
Computer and Electronic Product Manufacturing
Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro-: ACTIVE
응용 분야
개요Methyl perfluoro isobutyl ether: a unique fluorinated ether.Methyl perfluoroisobutyl ether is a colourless, clear, and odourless liquid substance. Methyl perfluoro isobutyl ether, also known as perfluoro methyl isobutyl ether, is a fluorinated ether with a highly stable and inert molecular structure due to the presence of fluorine atoms replacing all hydrogen atoms. This chemical exhibits excellent thermal and chemical stability, low viscosity, and unique solvating properties. Due to these properties, it is primarily used as a speciality solvent in the chemical and electronic industries. Additionally, it has applications in refrigeration and as a heat transfer fluid. Its inert nature makes it ideal for environments requiring non-reactive conditions at elevated temperatures and pressures.
용도Methyl perfluoroisobutyl ether is a useful research chemical.
용도Methyl perfluoroisobutyl ether (also known as HFE-7100), a representative product of the Novec series, is a colorless, transparent, low-viscosity, non-flammable liquid with zero ozone depletion potential, low toxicity, and good thermochemical stability, developed by 3M as a substitute for chlorofluorocarbons (CFCs) and hydrochlorofluorocarbon compounds (HCFCs) and used as a green solvent in precision cleaning and in deacidification solutions for paper conservation[2-3]. Methyl perfluorobutyl ether serves as the solvent in which CaMgO2 composite deacidification agents are dispersed, with methyl perfluorododecanoate as a surfactant, to prepare a deacidification suspension[3].
관련 반응
12건
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