CAS 2220-40-8 Bicyclo[2.2.2]oct-5-en-2-one (HCID 137507)

基本情報

CAS: 2220-40-8
標準SMILES: O=C1CC2C=CC1CC2
InChIKey: UJVGEBBKXJLFPB-UHFFFAOYSA-N
分子式: C8H10O
平均分子量: 122.16 g/mol
単同位体質量: 122.07316494

名称と識別子

優先名称: Bicyclo[2.2.2]oct-5-en-2-one
IUPAC: bicyclo[2.2.2]oct-5-en-2-one
現地名: ビシクロ[2.2.2]オクタ-5-エン-2-オン
英語名: bicyclo[2.2.2]oct-2-en-5-one
分子式: C8H10O
分子量: 122.16

名称と別名

Bicyclo[2.2.2]oct-5-en-2-one2220-40-8Bicyclo[2.2.2]octenoneBicyclo(2.2.2)oct-5-en-2-oneDTXSID00944854Bicyclo[2.2.2]oct-5-ene-2-oneNSC 167508Bicyclo(2.2.2)octenoneBicyclo(2.2.2)oct-5-ene-2-oneRefChem:119700DTXCID80857837UJVGEBBKXJLFPB-UHFFFAOYSA-N

名称をさらに表示

ビシクロ[2.2.2]オクタ-5-エン-2-オンBicyclo[2.2.2]Oct-2-En-5-One 5-Bicyclo[2.2.2]Oct-2-Enone

bicyclo[2.2.2]oct-2-en-5-oneNSC167508SCHEMBL678634bicyclo[2,2,2]oct-5-en-2-onebicyclo[2.2.2]oct-7-en-6-oneAKOS015900098AT28335NSC-167508

データベース識別子

CAS: 2220-40-8
PubChem CID: 137507
DTXSID: DTXSID00944854
EC Number: 803-079-7
Nikkaji: J132.599J

物性

構造計算による物性

XLogP: 1.3
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: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 79 · 79-80 °C
沸点: 81 · 81-83 °C(Press: 13 Torr)
比重(密度): 1.083 · 1.083±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.