アセチルフルオリド

Acetyl fluoride

HCID 11204CAS 557-99-3

基本情報

標準SMILES: CC(=O)F
InChIKey: JUCMRTZQCZRJDC-UHFFFAOYSA-N
分子式: C2H3FO
平均分子量: 62.04 g/mol
単同位体質量: 62.01679294

概要

Acetyl fluoride is an acyl fluoride that is fluoroethane carrying an oxo group at position 1. It is an organofluorine compound and an acyl fluoride.

名称と識別子

優先名称: Acetyl fluoride
IUPAC: acetyl fluoride
現地名: アセチルフルオリド
英語名: ACETYL FLUORIDE
分子式: C2H3FO
分子量: 62.04

名称と別名

ACETYL FLUORIDE557-99-3CH3COFFluorid kyseliny octoveFluorid kyseliny octove [Czech]ethanoyl fluorideEINECS 209-188-0BRN 1733308DTXSID3060326CHEBI:1919324-02-00-00393 (Beilstein Handbook Reference)RefChem:109055

名称をさらに表示

1-フルオロエタノンアセチルフルオリド酢酸フルオリドフッ化アセチル1-FluoroethanoneAcetylfluoride96%Acetyl fluoride 96%Acetic acid fluoridefluoridkyselinyoctoveACETYL FLUORIDE: 99.5%methylcarbonylfluoride

DTXCID9041946209-188-0InChI=1/C2H3FO/c1-2(3)4/h1HMethylcarbonyl fluorideMFCD00000365SFP6JT54SFC2H3FOacetic fluoride

データベース識別子

CAS: 557-99-3
PubChem CID: 11204
DTXSID: DTXSID3060326
ChEBI: CHEBI:191932
UNII: SFP6JT54SF
EC Number: 209-188-0
Nikkaji: J2.666B

物性

構造計算による物性

XLogP: 0.2
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: 0
重原子数: 4
形式電荷: 0
複雑度: 33

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

融点: 84 °C · −84 °C(lit.)
沸点: 20 · 20-21 °C(lit.)
比重(密度): 1 · 1,032 g/cm3
蒸気圧: 15.61 psi · 15.61 psi ( 20 °C)
EPAの化学物質情報: Acetyl fluoride (557-99-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AP2800000
ridadr: UN 3265 8/PG 1
risk_code: 34
hazard_code: C,F
hazard_note: Flammable/Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationAcetyl fluoride: INACTIVE

調製方法 · 2 件

製造方法Acetyl fluoride (but not other acyl fluorides) is most conveniently prepared by addition of Acetyl Chloride to a solution of Potassium Fluoride in AcOH; reaction is immediate. Warming the solution and condensing the gas gives nearly quantitiative yields. Procedures applicable to the preparation of a variety of acyl fluorides include reaction of the acid chloride or anhydride with nucleophilic fluorides and fluorination of the carboxylic acid.

純化方法Purify acetyl fluoride by fractional distillation. It attacks glass and is sold in steel cylinders. [Beilstein 2 H 172, 2 I 79, 2 II 175, 2 III 385, 2 IV 393.] TOXIC and LACHRYMATORY.