1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane

HCID 45459CAS 382-26-3

基本情報

標準SMILES: COC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIKey: AQHKYFLVHBIQMS-UHFFFAOYSA-N
分子式: C5H4F8O
平均分子量: 232.07 g/mol
単同位体質量: 232.01344051

名称と識別子

優先名称: 1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
IUPAC: 2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
英語名: Octafluoroisobutyl ether methyl
分子式: C5H4F8O
分子量: 0

名称と別名

2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane2-(Difluoro(methoxy)methyl)-1,1,1,3,3,3-hexafluoropropaneDTXSID40880146EC 609-534-4RefChem:409405DTXCID50136202609-534-4382-26-363919-03-91,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl etherMethyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propyl ether

名称をさらに表示

OCTAFLUOROISOBUTYLMETHYLETHEROctafluoroisobutyl ether methyl

1,1,1,3,3-Pentafluoro-2-(trifluoromethyl)-4-oxapentaneMFCD00054689Octafluoroisobutyl methyl etherPropane, 2-(difluoromethoxymethyl)-1,1,1,3,3,3-hexafluoro-Methyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-propyl etherETHER, METHYL OCTAFLUOROISOBUTYL(CF3)2CHCF2OCH3SCHEMBL1199052

データベース識別子

CAS: 382-26-3、63919-03-9
PubChem CID: 45459
DTXSID: DTXSID40880146
EC Number: 609-534-4
Nikkaji: J27.131D

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: 9
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 177

実験および物理化学的性質

PFAS · 5 件

PFAS -> Other/unspecified

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

PFAS -> Other/unspecified

PFAS -> OECD Category

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

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.