シクロプロピルアセチレン

Cyclopropylacetylene

HCID 138823CAS 6746-94-7

基本情報

標準SMILES
C#CC1CC1
InChIKey
NPTDXPDGUHAFKC-UHFFFAOYSA-N
分子式
C5H6
平均分子量
66.1 g/mol
単同位体質量
66.04695019

名称と識別子

優先名称
Cyclopropylacetylene
IUPAC
ethynylcyclopropane
現地名
シクロプロピルアセチレン
英語名
Cyclopropylacetylene
分子式
C5H6
分子量
66.1

名称と別名

Cyclopropylacetylene6746-94-7ethynyl cyclopropaneDTXSID80217795EC 425-430-1RefChem:581231DTXCID30140286425-430-1614-067-4EthynylcyclopropaneCyclopropyl acetylenecyclopropane, ethynyl-
名称をさらに表示
シクロプロピルアセチレンエチニルシクロプロパンシクロプロピルアセチレン, 97%1-エチニルシクロプロパンシクロプロピルエチン1-シクロプロピルエチンCPACCylopropylethylnenCylopropyl acetyleneCyclopropyl acetylenCyclopropylacethyleneCYCLOPROPYL ACETHLENEethylnyl-cyclopropane
Cyclopropane,ethynyl-MFCD02181090C5H6cyclopropylethyne336800-75-0Cyclopropylethyne; Ethyne, cyclopropyl-; EthynylcyclopropaneEthynylcyclopropane; Cyclopropylethyne;cyclopropyl ethyne

データベース識別子

CAS
6746-94-7
PubChem CID
138823
DTXSID
DTXSID80217795
UNII
CYA9F6WH2T
EC Number
425-430-1、614-067-4
Nikkaji
J798.432D

物性

構造計算による物性

XLogP
1.5
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
5

実験および物理化学的性質

SpringerMaterials PropertiesCoriolis coupling

物理化学的性質

融点
294 °C · 294 °C (decomp)
沸点
79 · 79-80 °C
比重(密度)
0.7801 · 0.7801
屈折率
20 · n20/D 1.4480
闪点
-5 °F · -5 °F
貯蔵温度
2 · 2-8°C

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 · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Danger

H225 (96.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: Active Update: 05-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1000
Hazard Classes and Categories · 4 件

Flam. Liq. 2 (96.1%)

Flam. Liq. 2 (85.7%)

Flammable liquid - category 2

Flam. Liq. 2

安全データ

wgk
2
ridadr
UN 1294 3/PG 2
hs_code
29021990
risk_code
11-36/37/38-48/20-63-65-67-52/53-41-38-4-37/38-22
化審法
(3)-4334
消防法
危-4-1-II

化学と産業

応用分野

使用Cyclopropylacetylene is used as an organic chemical synthesis intermediate.

調製方法 · 1 件

製造方法Cyclopropylacetylene was prepared in a two-step procedure by dichlorination of cyclopropyl methyl ketone with phosphorus pentachloride (PCl5) followed by double dehydrohalogenation with a strong base. This sequence presented significant scale-up problems with low overall yields (20-25%). Similarly, cyclopropylacetylene has been prepared by base-induced dehydrohalogenation of bromovinylcyclopropane . Cyclopropylacetylene has also been prepared from the 1-trimethylsilyl derivative of cyclopropylacetylene, which was prepared by treatment of 5-chloro-1-trimethylsilyl-1-pentyne with lithium diisopropylamide at 78°C followed by warming to room temperature.

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