メチルノナフルオロブチルエーテル

Methyl perfluorobutyl ether

HCID 164514

ノート反応

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基本情報

CAS: 163702-07-6
標準SMILES: COC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: OKIYQFLILPKULA-UHFFFAOYSA-N
分子式: C5H3F9O
平均分子量: 250.06 g/mol
単同位体質量: 250.0040187

名称と識別子

優先名称: Methyl perfluorobutyl ether
IUPAC: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
現地名: メチルノナフルオロブチルエーテル
英語名: METHYL NONAFLUOROBUTYL ETHER
分子式: C5H3F9O
分子量: 250.06

名称と別名

Methyl Nonafluorobutyl Ether163702-07-6Methyl Perfluorobutyl EtherButane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutaneNonafluorobutyl methyl ether(perfluorobutoxy)methaneH637A50B7U1-methoxynonafluorobutaneMETHYL 1,1,2,2,3,3,4,4,4-NONAFLUOROBUTYL ETHERRefChem:818025METHYL PERFLUOROBUTYL ETHER [INCI]

名称をさらに表示

メチルノナフルオロブチルエーテルメチルノナフルオロブチルエーテルノナフルオロブチルメチルエーテルペルフルオロブチルメチルエーテルメチルペルフルオロブチルエーテル1-メトキシ-2-（トリフルオロメチル）-1，1，2，3，3，3-ヘキサフルオロプロパンを主成分とする1，1，1，2，2，3，3，4，4-ノナフルオロ-4-メトキシブタンと1-メトキシ-2-（トリフルオロメチル）-1，1，2，3，3，3-ヘキサフルオロプロパンの混合物メチルパーフルオロブチルエーテルメチルノナフルオロブチルエーテル (異性体混合物)ノナフルオロブチル(メチル)エーテル1-メトキシ-1,1,2,2,3,3,4,4,4-ノナフルオロブタンメチル(ノナフルオロブチル)エーテル(ノナフルオロブチル)(メチル)エーテル1,1,1,2,2,3,3,4,4-ノナフルオロ-4-メトキシブタン(ノナフルオロブチル)メチルエーテルHFE-7100HFE-7100METHOXYNONAFLUOROBUTANE3m Novec 7100Novec HFE 730Methoxyperfluoro-n-butane

Butane, 1,1,1,2,2,3,3,4,4nonafluoro4methoxyFractionated and Column Treated HFE7100 from Methylbutyrate ECF. F12429 (Intermediate)605-339-3829-015-8METHOXYPERFLUOROBUTANEPerfluorobutyl Methyl EtherMFCD00674093UNII-H637A50B7U

データベース識別子

CAS: 163702-07-6、219484-64-7
PubChem CID: 164514
DTXSID: DTXSID4073120
ChEMBL: CHEMBL500823
UNII: H637A50B7U
EC Number: 605-339-3、829-015-8
Nikkaji: J862.409G

物性

構造計算による物性

XLogP: 3.3
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 229

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Ethers

PFAS · 6 件

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> non-polymer

PFAS -> Hydrofluoroether

PFAS -> Other/unspecified

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

SpringerMaterials PropertiesExcess enthalpy

Vapor Pressure202.0 [mmHg]

Physical Description · 2 件

Liquid

Clear liquid with an odor of ether; [3M MSDS]

物理化学的性質

融点: -135 °C · -135 °C (lit.)
沸点: 60 °C · 60 °C (lit.)
比重(密度): 1.529 g/mL · 1.529 g/mL at 20 °C 1.52 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.3(lit.)
闪点: -18 ℃ · -18℃
貯蔵温度: 2 · 2-8°C
外見: liquid
BRN: 8768491 · 8768491
Henry's Law Constant: 9.9 · 9.9×10-6 mol/(m3Pa) at 25℃, Zhang et al. (2010)
化粧品成分の機能: 粘度制御溶媒
InChI: InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChIKey: OKIYQFLILPKULA-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)OC
LogP: 4.67 · 4.670 (est)
CAS データベース: 163702 · 163702-07-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy- (163702-07-6)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 71.4% (147 of 206) of all reports.

Warning

H332 (24.8%): 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 206 reports by companies from 5 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-methoxy 1,1,2,2,3,3,4,4,4-nonafluorobutane

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy- 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.

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-: 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.

Other Safety InformationIMAP assessments - Indirect precursors of short chain perfluorocarboxylic acids (PFCAs): Human health tier II assessment

Hazards Summary · 1 件

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] Contains 3-7% methyl nonafluoroisobutyl ether (CAS# 163702-08-7); Not expected to cause significant skin or eye irritation; [3M MSDS] See Methyl nonafluoroisobutyl ether.

Hazard Classes and Categories · 2 件

Acute Tox. 4 (24.8%)

Skin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29091990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 3 件

Used as an intermediate; [3M MSDS]

• Fingerprint development [Ref: https://doi.org/10.1039/b315496n]

non-polymer PFAS -> Chemical Industry -> Production of other chemicals

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesHeat transferring agent

Household ProductsInformation on 3 consumer products that contain Methyl Perfluorobutyl Ether in the following categories is provided:

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information · 2 件

Computer and Electronic Product Manufacturing

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-: ACTIVE

応用分野 · 3 件

用途溶剤、洗浄溶剤。

使用Nonafluorobutyl methyl ether (Methyl Nonafluorobutyl Ether, MFE) may be used to compose mixed-solvent electrolytes. Flash point, conductivity and NMR spectra of these solvent mixtures have been investigated.

一般的な説明consists of two inseparable isomers (CF3)2CFCF2OCH3 and CF3(CF2)3OCH3 with almost identical properties