2-フルオロ-3-メトキシベンズアルデヒド

2-Fluoro-3-methoxybenzaldehyde

HCID 3774463

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103438-88-6
標準SMILES: COc1cccc(C=O)c1F
InChIKey: LIHCOUDNHILORI-UHFFFAOYSA-N
分子式: C8H7FO2
平均分子量: 154.14 g/mol
単同位体質量: 154.04300768

名称と識別子

優先名称: 2-Fluoro-3-methoxybenzaldehyde
IUPAC: 2-fluoro-3-methoxybenzaldehyde
現地名: 2-フルオロ-3-メトキシベンズアルデヒド
英語名: 2-Fluoro-3-methoxybenzaldehyde
分子式: C8H7FO2
分子量: 154.14

名称と別名

2-Fluoro-3-methoxybenzaldehyde103438-88-6DTXSID50396248RefChem:260870DTXCID80347107628-435-7MFCD034119622-fluoro-3-methoxy benzaldehyde2-fluoro-3-methoxy-benzaldehydeBenzaldehyde, 2-fluoro-3-methoxy-SCHEMBL8896flouro-3-methoxybenzaldehyde

名称をさらに表示

2-フルオロ-3-メトキシベンズアルデヒド2-Fluoro-3-formylanisole2-Fluoro-3-methoxybenzaldehyde96%2-Fluoro-3-methoxybenzaldehyde 96%2-fluoro-3-methoxybenzaldehyde - [AC77538]

CK21062-Fluoro-3SBB0687622-Fluoro-3-methoxybenzaldehyde, 97%AKOS015917491AB14344PS-8889SY064718

データベース識別子

CAS: 103438-88-6
PubChem CID: 3774463
DTXSID: DTXSID50396248
EC Number: 628-435-7
Nikkaji: J2.981.412K

物性

構造計算による物性

XLogP: 1.3
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: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 47 · 47-51 °C (lit.)
沸点: 239.9 · 239.9±20.0 °C(Predicted)
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
闪点: 110 °C · 110 °C
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: claggy powder
色: Sandy beige
InChI: 1S/C8H7FO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
InChIKey: LIHCOUDNHILORI-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(OC)c1F
CAS データベース: 103438 · 103438-88-6(CAS DataBase Reference)

化学的性質

化学的特性White to yellow crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 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 CategoriesAcute Tox. 4 (87.5%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 22-37/38-41-43
hazard_code: Xn,Xi
hazard_note: Irritant/Keep Cold
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Fluoro-3-methoxybenzaldehyde is an intermediate in the synthesis of benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.