CAS 430-51-3 Fluoroacetone (HCID 9889)

基本情報

CAS: 430-51-3
標準SMILES: CC(=O)CF
InChIKey: MSWVMWGCNZQPIA-UHFFFAOYSA-N
分子式: C3H5FO
平均分子量: 76.07 g/mol
単同位体質量: 76.03244294

名称と識別子

優先名称: Fluoroacetone
IUPAC: 1-fluoropropan-2-one
現地名: 1-フルオロプロパン-2-オン
英語名: Fluoroacetone
分子式: C3H5FO
分子量: 76.07

名称と別名

FLUOROACETONE430-51-31-Fluoro-2-propanoneNSC-21302735L3MV2UGDTXSID70195619RefChem:140913DTXCID60118110207-064-01-fluoropropan-2-one1-Fluoroacetone2-Propanone, 1-fluoro-

名称をさらに表示

メチル(フルオロメチル)ケトン1-フルオロプロパン-2-オン1-フルオロ-2-プロパノン1-フルオロアセトンフルオロアセトンCH3COCH2FFluoroacetone99%Fluoroacetone 99%Fluoroacetone,97%Methyl(fluoromethyl) ketone

MFCD00000451NSC21302Mono-fluoroacetoneAcetone, fluoro-EINECS 207-064-0monofluoroacetonealpha-Fluoroacetone1-Fluoroacetone #

データベース識別子

CAS: 430-51-3
PubChem CID: 9889
DTXSID: DTXSID70195619
UNII: 735L3MV2UG
EC Number: 207-064-0
Nikkaji: J50G

物性

構造計算による物性

XLogP: 0.3
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 5
形式電荷: 0
複雑度: 42

実験および物理化学的性質

Vapor Pressure63.4 [mmHg]

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 75 °C · 75 °C (lit.)
比重(密度): 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.37(lit.)
闪点: 45 °F · 45 °F
貯蔵温度: 2 · 2-8°C
外見: 粉
比重: 1.054 · 1.054
色: 赤から濃い赤
Henry's Law Constant: 4.6 · 4.6×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
InChI: 1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
InChIKey: MSWVMWGCNZQPIA-UHFFFAOYSA-N
SMILES: CC(=O)CF

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

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

Aggregated GHS information provided per 42 reports by companies from 3 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

Hazards Summary · 1 件

Causes multiple liver effects, acute tubular necrosis and changes in the spleen in inhalation lethal-concentration studies of mice; [RTECS] A lachrymator and vesicant; Highly toxic by ingestion, inhalation, and skin absorption; Targets the liver, spleen, and kidney; [Sigma-Aldrich MSDS] See Chloroacetone.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 2 (100%)

毒性情報

Adverse Effects · 1 件

Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.；Dermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.