4H,5H,6H-cyclopenta[b]thiophen-4-one

HCID 1958632

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基本情報

CAS: 5650-51-1
標準SMILES: O=C1CCc2sccc21
InChIKey: KOBLGOHFGYWCRC-UHFFFAOYSA-N
分子式: C7H6OS
平均分子量: 138.19 g/mol
単同位体質量: 138.01393598

名称と識別子

優先名称: 4H,5H,6H-cyclopenta[b]thiophen-4-one
IUPAC: 5,6-dihydrocyclopenta[b]thiophen-4-one
英語名: AKOS BB-9698
分子式: C7H6OS
分子量: 138.19

名称と別名

4H,5H,6H-cyclopenta[b]thiophen-4-one4H,5H,6H-cyclopenta(b)thiophen-4-oneRefChem:527210823-209-65650-51-15,6-dihydro-4H-cyclopenta[b]thiophen-4-one5,6-dihydrocyclopenta[b]thiophen-4-one5,6-dihydro-cyclopenta[b]thiophen-4-oneMFCD00757271AKOS BB-96985,6-Dihydrocyclopenta(b)thiophen-4-one4H-Cyclopenta[b]thiophen-4-one, 5,6-dihydro-

名称をさらに表示

5,6-Dihydro-4H-cyclopenta[b]thiophen-4-one, 97+%

SCHEMBL1747122DTXSID90365716KOBLGOHFGYWCRC-UHFFFAOYSA-NFAA65051AKOS003606949SB376955,6-dihydrocyclopenta[b]thiophene-4-one5,6-Dihydrocyclopenta(b )thiophen-4-one

データベース識別子

CAS: 5650-51-1
PubChem CID: 1958632
DTXSID: DTXSID90365716
EC Number: 823-209-6
Nikkaji: J716.250B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 45.3 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: 0
重原子数: 9
形式電荷: 0
複雑度: 144

物理化学的性質

融点: 115 · 115-117℃
沸点: 240 ℃ · 240℃
比重(密度): 1.322 · 1.322
闪点: 99 ℃ · 99℃
貯蔵温度: 2 · 2-8°C(protect from light)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.