CAS 348-28-7 4-Fluoro-2-hydroxybenzaldehyde (HCID 2779268)

基本情報

CAS: 348-28-7
標準SMILES: O=Cc1ccc(F)cc1O
InChIKey: GBJJCODOZGPTBC-UHFFFAOYSA-N
分子式: C7H5FO2
平均分子量: 140.11 g/mol
単同位体質量: 140.02735762

名称と識別子

優先名称: 4-Fluoro-2-hydroxybenzaldehyde
IUPAC: 4-fluoro-2-hydroxybenzaldehyde
現地名: 4-フルオロ-2-ヒドロキシベンズアルデヒド
英語名: 4-FLUORO-2-HYDROXYBENZALDEHYDE
分子式: C7H5FO2
分子量: 140.11

名称と別名

4-fluoro-2-hydroxybenzaldehyde348-28-7DTXSID90381355RefChem:98954DTXCID70332380640-113-84'-Flouro-2'-hydroxyacetophenone4-Fluorosalicylaldehyde2-hydroxy-4-fluorobenzaldehydeMFCD037885264-fluoro-2-hydroxy-benzaldehydeSCHEMBL172942

名称をさらに表示

4-フルオロ-2-ヒドロキシベンズアルデヒド4-フルオロサリチルアルデヒドSW-40SWF-404-FluorosalicyladehydeBenzaldehyde, 4-fluoro-2-hydroxy-4-Fluoro-2-hydroxybenzaldehyde ,98%4-Fluorosalicylaldehyde, 5-Fluoro-2-formylphenol2-Hydroxy-4-Fluorobenzaldehyde 4-Fluoro Salicylaldehyde

4-fluoro-2-hydroxy benzaldehydeCL8352CS-W008001AC-1973PS-9052EN300-97011Z12016224544-Fluor-2-hydroxy-benzaldehyd

データベース識別子

CAS: 348-28-7
PubChem CID: 2779268
DTXSID: DTXSID90381355
EC Number: 640-113-8
Nikkaji: J612.213B

物性

構造計算による物性

XLogP: 1.7
極性表面積: 37.3 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: 1
重原子数: 10
形式電荷: 0
複雑度: 127

物理化学的性質

融点: 70 · 70-72°C
沸点: 208.2 · 208.2±20.0 °C(Predicted)
比重(密度): 1.35 · 1.350±0.06 g/cm3(Predicted)
闪点: 110 ° · 110°
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: crystalline solid
酸解離定数(Pka): 7.18 · 7.18±0.10(Predicted)
色: Pale yellow
CAS データベース: 348 · 348-28-7(CAS DataBase Reference)

化学的性質

化学的特性Solid

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)

Aggregated GHS information provided per 8 reports by companies from 4 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

hs_code: 29122990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37

化学と産業

応用分野 · 1 件

使用4-Fluorosalicylaldehyde is used as a reagent to synthesize quinoline derivatives that have potential antibacterial and antituberculosis effects. 4-Fluorosalicylaldehyde is also used as a reagent to prepare chromones (e.g. 4-Oxo-4H-1-benzopyran-2-carboxylic acid [B205670]).