クロロぎ酸2-フルオロエチル

Carbonochloridic acid, 2-fluoroethyl ester

HCID 10017

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 462-27-1
標準SMILES: O=C(Cl)OCCF
InChIKey: FOHSVPIFZASOED-UHFFFAOYSA-N
分子式: C3H4ClFO2
平均分子量: 126.51 g/mol
単同位体質量: 125.9883852

名称と識別子

優先名称: Carbonochloridic acid, 2-fluoroethyl ester
IUPAC: 2-fluoroethyl carbonochloridate
現地名: クロロぎ酸2-フルオロエチル
英語名: 2-FLUOROETHYL CHLOROFORMATE
分子式: C3H4ClFO2
分子量: 126.51

名称と別名

2-Fluoroethyl chloroformateCarbonochloridic acid, 2-fluoroethyl esterChloroformic acid 2-fluoroethyl esterTL 751BRN 17466552-Fluorethylester kyseliny chlormravenci [Czech]2-Fluorethylester kyseliny chlormravenciCarbonochloridic acid, 2-fluoroethyl ester (9CI)Formic acid, chloro-, 2-fluoroethyl ester4-03-00-00024 (Beilstein Handbook Reference)DTXSID50196760RefChem:123619

名称をさらに表示

クロロぎ酸2-フルオロエチル2-フルオロエチルカルボノクロリダートtl7512-Fluoroethyl chloroforMate 97%chloroformicacid2-fluoroethylesterchloro-formicaci2-fluoroethylesterformicacid,chloro-,2-fluoroethylester2-fluorethylesterkyselinychlormravencichlorocarbonic acid 2-fluoroethyl estercarbonochloridicacid,2-fluoroethylester

DTXCID90119251624-170-6462-27-12-fluoroethyl carbonochloridateMFCD01726287C3H4ClFO22-Fluorathyl-chlorcarbonat2-fluoroethyl chlorocarbonate

データベース識別子

CAS: 462-27-1
PubChem CID: 10017
DTXSID: DTXSID50196760
EC Number: 624-170-6
Nikkaji: J69.672B

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 66

物理化学的性質

沸点: 131 · 131-135 °C (lit.)
比重(密度): 1.34 g/mL · 1.34 g/mL at 25 °C (lit.)
蒸気圧: 0.83 mm · 0.83 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.4(lit.)
闪点: 138 °F · 138 °F
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
外見: Oil
色: Colourless
安定性: Hygroscopic, Moisture Sensitive, Very Volatile
InChI: 1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
InChIKey: FOHSVPIFZASOED-UHFFFAOYSA-N
SMILES: FCCOC(Cl)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 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.