2,2,3,3-Tetrafluoro-1-propanol (HCID 6441)

名称と識別子

優先名称: 2,2,3,3-Tetrafluoro-1-propanol
IUPAC: 2,2,3,3-tetrafluoropropan-1-ol
現地名: 2,2,3,3-テトラフルオロ-1-プロパノール
英語名: Tetrafluoro-1-propanol
分子式: C3H4F4O
分子量: 132.06

名称と別名

2,2,3,3-Tetrafluoro-1-propanol76-37-92,2,3,3-Tetrafluoropropan-1-ol1-Propanol, 2,2,3,3-tetrafluoro-2,2,3,3-Tetrafluoropropyl alcohol1,1,3-Trihydroperfluoro-1-propanolNSC-113RNO513716PDTXSID8058796RefChem:80821DTXCID0047828200-955-5

名称をさらに表示

2,2,3,3-テトラフルオロ-1-プロパノール2,2,3,3-テトラフルオロプロパノール1,1,3-トリヒドロペルフルオロプロパノール1,1,3-トリヒドロパーフルオロプロパノール2,2,3,3-テトラフルオロプロパン-1-オール2,2,3,3-テトラフルオロプロパンオル2,2,3,3-テトラフルオロプロパノ-ル1H,1H,3H-テトラフルオロプロパノール2,2,3,3‐テトラフルオロ‐1‐プロパノール1H,1H,3H-テトラフルオロ-1-プロパノールTFP1,1,3-TrihydroperfluoropropanolJACS-76-37-9PTFE propanoluoro-1-propanoL1H,1H,3H-TetrafLTetrafluoro-1-propanol

1H,1H,3H-Tetrafluoro-1-propanol2,2,3,3-TETRAFLUOROPROPANOLMFCD00004676Tetrafluoropropyl alcoholC3-FluoroalcoholNSC 113EINECS 200-955-5BRN 1738264

データベース識別子

CAS: 76-37-9
PubChem CID: 6441
DTXSID: DTXSID8058796
UNII: RNO513716P
EC Number: 200-955-5
Nikkaji: J53.886H

物性

構造計算による物性

XLogP: 1.1
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: 5
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 71

実験および物理化学的性質

Kovats Retention Index636；640；651

物理化学的性質

融点: -15 °C · -15°C
沸点: 109 °C · 109 °C
比重(密度): 1.48 g/mL · 1.48 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.321(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: 液体
酸解離定数(Pka): 13.05 · 13.05±0.10(Predicted)
色: 無色透明
比重: 1.481 · 1.481.471
水溶解度: 水に溶ける。
Merck: 14 · 14,9206
BRN: 1738264 · 1738264
Henry's Law Constant: 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
安定性: 安定。可燃性。強酸化剤、強塩基、ナトリウム、カリウム、酸塩化物、酸無水物とは相容れない。
InChI: 1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N
SMILES: OCC(F)(F)C(F)F
CAS データベース: 76 · 76-37-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,2,3,3-Tetrafluoro-1-propanol(76-37-9)
EPAの化学物質情報: 1 · 1-Propanol, 2,2,3,3-tetrafluoro- (76-37-9)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (53.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (85.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (81.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (17.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 193 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Propanol, 2,2,3,3-tetrafluoro-

Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23610

2,2,3,3-tetrafluoropropan-1-ol: 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.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (53.9%)；Eye Irrit. 2A (85.5%)；Acute Tox. 3 (81.9%)；Acute Tox. 4 (17.1%)

法規制情報

Regulatory Information · 3 件

Chemical: 1-Propanol, 2,2,3,3-tetrafluoro-

Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23610

2,2,3,3-tetrafluoropropan-1-ol: 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.

安全データ

wgk: 1
tsca: TSCA listed
rtecs: UB9400000
ridadr: UN 1986 3/PG 3
hs_code: 29051990
risk_code: 10-20-36-36/37/38
化審法: (2)-284
消防法: 危-4-2-III
hazard_code: Xn,F,Xi
hazard_note: Flammable
safety_code: 26-37/39-16-36/37-36
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1-Propanol, 2,2,3,3-tetrafluoro-: ACTIVE

応用分野 · 3 件

用途溶剤、有機合成原料。

使用2,2,3,3-Tetrafluoro-1-propanol, is used as an essential fluorinated fine chemical, the main application of TFP is as a dye solvent in CD-R(W) and DVD-R(W) industry. It is also used in making textile treatment agent and pharmaceuticals. This chemical is an ideal replacement for Freon 22 detergent.

一般的な説明2,2,3,3-Tetrafluoro-1-propanol (TFP) is extensively used as the solvent. Mineralization and defluoridation of TFP by UV oxidation in a novel three-phase fluidized bed reactor was reported. Desorption of activated carbon loaded with TFP by supercritical carbon dioxide in a rotating packed bed was investigated.

調製方法 · 1 件

純化方法Tetrafluoro-1-propanol (450mL) is added to a solution of 2.25g of NaHSO3 in 90mL of water, shaken vigorously and set aside for 24hours. The fraction distilling at or above 99o is refluxed for 4hours with 5-6g of KOH and rapidly distilled, followed by a final fractional distillation. [Kosower & Wu J Am Chem Soc 83 3142 1961.] Alternatively, shake the alcohol with alumina for 24hours, dry it overnight with anhydrous K2CO3 and distil it, taking the middle fraction (b 107-108o). [Beilstein 1 IV 2438.]