2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド

2,6-Difluoro-4-methoxybenzaldehyde

HCID 3703713

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 256417-10-4
標準SMILES: COc1cc(F)c(C=O)c(F)c1
InChIKey: ZYABCGOTMDPUDD-UHFFFAOYSA-N
分子式: C8H6F2O2
平均分子量: 172.13 g/mol
単同位体質量: 172.03358587

名称と識別子

優先名称: 2,6-Difluoro-4-methoxybenzaldehyde
IUPAC: 2,6-difluoro-4-methoxybenzaldehyde
現地名: 2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド
英語名: 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE
分子式: C8H6F2O2
分子量: 172.13

名称と別名

2,6-Difluoro-4-methoxybenzaldehyde256417-10-4DTXSID70395273RefChem:248368DTXCID00346132625-806-52,6-difluoro-4-methoxy-benzaldehydeMFCD04114368Benzaldehyde, 2,6-difluoro-4-methoxy-SCHEMBL9541342,6-difluoro-4-methoxy benzaldehydeCL8252

名称をさらに表示

2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド2,6-ジフルオロ-4-メトキシベンズアルデヒド5-Fluoroacetophenone2,6-fluoro-4-methoxybenzaldehyde,6-DIFLUORO-4-METHOXYBENZALDEHYDE2,6-Difluoro-4-methoxybenzaldehyde 98%2,6-DIFLUORO-4-METHOXYBENZALDEHYDE ISO 9001：2015 REACH3,5-Difluoro-4-formylanisole, 2,6-Difluoro-p-anisaldehyde

AKOS005063677AB18165SCHEMBL7300875SBB088585CS-W008448PS-8671SY0296792,6-Difluoro-4-methoxybenzaldehyde, 97%

データベース識別子

CAS: 256417-10-4
PubChem CID: 3703713
DTXSID: DTXSID70395273
EC Number: 625-806-5

物性

構造計算による物性

XLogP: 1.6
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: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 73 · 73-77 °C(lit.)
沸点: 207.1 · 207.1±35.0 °C(Predicted)
比重(密度): 1.289 · 1.289±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
色: Faint Gold
InChI: 1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKey: ZYABCGOTMDPUDD-UHFFFAOYSA-N
SMILES: COc1cc(F)c(C=O)c(F)c1
CAS データベース: 256417 · 256417-10-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 38-41
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 1 件

使用2,6-Difluoro-4-methoxybenzaldehyde, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is shown to be involved in the preparation of potent and orally available G protein-coupled receptor 40 agonists, used the treatment of type 2 diabetes.