Ethyl 3-cyclopropylprop-2-ynoate

HCID 639964

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部分構造検索類似構造を探す

基本情報

CAS: 123844-20-2
標準SMILES: CCOC(=O)C#CC1CC1
InChIKey: YQKWSKCBPAMHEJ-UHFFFAOYSA-N
分子式: C8H10O2
平均分子量: 138.16 g/mol
単同位体質量: 138.06807956

名称と識別子

優先名称: Ethyl 3-cyclopropylprop-2-ynoate
IUPAC: ethyl 3-cyclopropylprop-2-ynoate
英語名: Ethylcyclopropylpropiolate
分子式: C8H10O2
分子量: 138.16

名称と別名

ethyl 3-cyclopropylprop-2-ynoate123844-20-22-propynoic acid, 3-cyclopropyl-, ethyl esterRefChem:594943825-204-4InChI=1/C8H10O2/c1-2-10-8(9)6-5-7-3-4-7/h7H,2-4H2,1HEthylcyclopropylpropiolateEthyl 3-cyclopropylpropiolateSCHEMBL1513587ethyl3-cyclopropylprop-2-ynoateYQKWSKCBPAMHEJ-UHFFFAOYSA-NYEA84420

名称をさらに表示

2-Propynoic acid, 3-cyclopropyl-, ethyl ester (9CI)

MFCD28127816cyclopropyl-propynoic acid ethyl esterDA-340893-Cyclopropyl-2-propynoic acid ethyl esterCS-0055985EN300-91269

データベース識別子

CAS: 123844-20-2
PubChem CID: 639964
EC Number: 825-204-4

物性

構造計算による物性

XLogP: 2
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: 10
形式電荷: 0
複雑度: 190

物理化学的性質

沸点: 218.2 · 218.2±7.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.