CAS 66495-88-3 3-Hydroxy-2-methoxybenzaldehyde (HCID 11804953)

基本情報

CAS: 66495-88-3
標準SMILES: COc1c(O)cccc1C=O
InChIKey: GRIWJVSWLJHHEM-UHFFFAOYSA-N
分子式: C8H8O3
平均分子量: 152.15 g/mol
単同位体質量: 152.04734412

名称と識別子

優先名称: 3-Hydroxy-2-methoxybenzaldehyde
IUPAC: 3-hydroxy-2-methoxybenzaldehyde
現地名: 3-ヒドロキシ-2-メトキシベンズアルデヒド
英語名: 3-Hydroxy-2-methoxybenzaldehyde
分子式: C8H8O3
分子量: 152.15

名称と別名

3-hydroxy-2-methoxybenzaldehyde66495-88-3DTXSID70473025RefChem:94107DTXCID80423839866-526-5MFCD066561193-Hydroxy-2-methoxybenzaldehyde-d3CHEMBL5079183-hydroxy-2-methoxy-benzaldehydehydroxy-methoxy-benzaldehydeSCHEMBL470709

名称をさらに表示

Benzaldehyde, 3-hydroxy-2-methoxy-3-Hydroxy-2-methoxybenzaldehyde ISO 9001：2015 REACH

AC1785BDBM502669632-Methoxy-3-hydoxybenzaldehydeSCHEMBL6331609AKOS00011926EBC-04310AKOS000119267FH67917

データベース識別子

CAS: 66495-88-3
PubChem CID: 11804953
DTXSID: DTXSID70473025
ChEMBL: CHEMBL507918
EC Number: 866-526-5
Nikkaji: J155.611H

物性

構造計算による物性

XLogP: 1
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 135

物理化学的性質

融点: 113 · 113-115 °C(Solv: water (7732-18-5))
沸点: 135 °C · 135 °C(Press: 15 Torr)
比重(密度): 1.231 · 1.231±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 9.25 · 9.25±0.10(Predicted)

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2912490090

化学と産業

応用分野 · 1 件

使用3-Hydroxy-2-methoxybenzaldehyde-d3, is the labeled analogue of 3-Hydroxy-2-methoxybenzaldehyde (H825420), which can be used as an intermediate for the synthesis of various pharmaceutical compounds. It can be also used for the synthesis of analogs of antineoplaston A10, having antitumor activity.