2,2,3,4,4,4-Hexafluorobutan-1-ol (HCID 533990)

名称と識別子

優先名称: 2,2,3,4,4,4-Hexafluorobutan-1-ol
IUPAC: 2,2,3,4,4,4-hexafluorobutan-1-ol
現地名: 2,2,3,4,4,4-ヘキサフルオロ-1-ブタノール
英語名: 2,2,3,4,4,4-HEXAFLUORO-1-BUTANOL
分子式: C4H4F6O
分子量: 182.06

名称と別名

2,2,3,4,4,4-Hexafluorobutan-1-ol2,2,3,4,4,4-Hexafluoro-1-butanolEINECS 206-842-7RefChem:440644206-842-7382-31-02,2,3,4,4,4-Hexafluorobutanol1H,1H,3H-Hexafluorobutanol1-Butanol, 2,2,3,4,4,4-hexafluoro-1H,1H,3H-PerfluorobutanolMFCD000423092,2,3,4,4,4-Hexafluorobutanol-1

名称をさらに表示

2,2,3,4,4,4-ヘキサフルオロ-1-ブタノール2,2,3,4,4,4-ヘキサフルオロブタン-1-オール1H,1H,3H-ヘキサフルオロブタノールHexafluorobutanoluoro-1-butanoLHEXAFLUORO-1-BUTANOLHexafluorobutanol (HFB)1H,1H,3H-PerfluoroButan-1-ol

AKOS006222982CS-W017134BS-169802,2,3,4,4,4-hexafluoro-butan-1-olAMY6761CF3CFHCF2CH2OHSCHEMBL18822SCHEMBL21787

データベース識別子

CAS: 382-31-0
PubChem CID: 533990
DTXSID: DTXSID00870523
ChEMBL: CHEMBL4526528
EC Number: 206-842-7
Nikkaji: J25.056B

物性

構造計算による物性

XLogP: 1.7
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 129

実験および物理化学的性質

PFAS · 3 件

PFAS -> OECD Category

PFAS -> Other/unspecified

物理化学的性質

融点: 68 °C · 68°C
沸点: 114 °C/740 · 114 °C/740 mmHg (lit.)
比重(密度): 1.557 g/mL · 1.557 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.312(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): 13.1 · 13.10±0.10(Predicted)
比重: 1.557 · 1.557
色: Colorless to Light yellow
BRN: 1753872 · 1753872
Henry's Law Constant: 3.2 · 3.2×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKey: LVFXLZRISXUAIL-UHFFFAOYSA-N
SMILES: C(O)C(F)(F)C(F)C(F)(F)F
CAS データベース: 382 · 382-31-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Butanol, 2,2,3,4,4,4-hexafluoro- (382-31-0)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (13%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (13%)

安全データ

wgk: 3
ridadr: UN 1987 3/PG 3
hs_code: 29055900
risk_code: 20/22-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,Xi,F
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

応用分野 · 1 件

使用2,2,3,4,4,4-Hexafluoro-1-butanol may be used in the preparation of fluorinated cationic guar gum (FCGG)., It may be employed as solvent to evaluate the dynamic nuclear polarization (DNP) parameters for the solutions of free radicals Galvinoxyl (GALV) and α,γ-bisdiphenylene-β-phenyl allyl complex with benzene (1:1) (BDPA).