2-Butyn-1-yl chloroformate

HCID 4131669

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 202591-85-3
標準SMILES: CC#CCOC(=O)Cl
InChIKey: MFKKPMUEGDJJSL-UHFFFAOYSA-N
分子式: C5H5ClO2
平均分子量: 132.54 g/mol
単同位体質量: 131.9978071

名称と識別子

優先名称: 2-Butyn-1-yl chloroformate
IUPAC: but-2-ynyl carbonochloridate
英語名: 2-Butyn-1-yl chloroformate 98
分子式: C5H5ClO2
分子量: 132.54

名称と別名

202591-85-32-Butyn-1-yl chloroformateDTXSID70399690RefChem:86058DTXCID50350547623-662-8MFKKPMUEGDJJSL-UHFFFAOYSA-NBut-2-yn-1-yl carbonochloridatebut-2-ynyl carbonochloridate2-Butyn-1-yl chloroformate;But-2-ynyl Chloroformate2-BUTYN-1-YL CHLOROFORMATE, 98%

名称をさらに表示

2-Butyn-1-yl chloroformate 98Carbonochloridic acid, 2-butyn-1-yl ester

SCHEMBL649854AKOS016009148

データベース識別子

CAS: 202591-85-3
PubChem CID: 4131669
DTXSID: DTXSID70399690
EC Number: 623-662-8

物性

構造計算による物性

XLogP: 1.8
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: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 139

実験および物理化学的性質

Kovats Retention Index919

物理化学的性質

沸点: 156 °C · 156 °C(lit.)
比重(密度): 1.169 g/mL · 1.169 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.452(lit.)
闪点: 140 °F · 140 °F

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]

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

Aggregated GHS information provided per 41 reports by companies from 2 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.