CAS 75889-54-2 8-Methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (HCID 606578)

基本情報

CAS: 75889-54-2
標準SMILES: COc1cc(C=O)cc2c1OCCO2
InChIKey: MCPICTRPQGUUJE-UHFFFAOYSA-N
分子式: C10H10O4
平均分子量: 194.18 g/mol
単同位体質量: 194.0579088

名称と識別子

優先名称: 8-Methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
IUPAC: 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
英語名: 8-METHOXY-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
分子式: C10H10O4
分子量: 194.18

名称と別名

75889-54-28-Methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehydeDTXSID70345713RefChem:312127DTXCID202967868-methoxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde8-Methoxy-2,3-dihydro-benzo[1,4]dioxine-6-carbaldehydeMFCD063428015-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-8-methoxy-SCHEMBL1620810SCHEMBL11334862

名称をさらに表示

ST5137683ZINC03882888AKOS BBS-000046748-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxaldehyde2,3-Dihydro-8-methoxy-benzo[b][1,4]dioxin-6-carbaldehyde

ALBB-026325SBB028120STK585858AKOS0002697203-Methoxy-4,5-ethylenedioxybenzaldehydeLS-08949SY063115DB-181597

データベース識別子

CAS: 75889-54-2
PubChem CID: 606578
DTXSID: DTXSID70345713
EC Number: 101-440-7

物性

構造計算による物性

XLogP: 1.1
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 206

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.