CAS 347-54-6 5-Fluorosalicylaldehyde (HCID 2737328)

基本情報

CAS: 347-54-6
標準SMILES: O=Cc1cc(F)ccc1O
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
分子式: C7H5FO2
平均分子量: 140.11 g/mol
単同位体質量: 140.02735756

名称と識別子

優先名称: 5-Fluorosalicylaldehyde
IUPAC: 5-fluoro-2-hydroxybenzaldehyde
現地名: 5-フルオロサリチルアルデヒド
英語名: 5-Fluorosalicylaldehyde
分子式: C7H5FO2
分子量: 140.11

名称と別名

5-FluorosalicylaldehydeF-SA compoundRefChem:5357965-Fluoro-2-hydroxybenzaldehyde347-54-6MFCD010909972-hydroxy-5-fluoro-benzaldehydeDTXSID50371994STL112266AKOS000346037SY003760EN300-50297

名称をさらに表示

5-フルオロサリチルアルデヒド5-フルオロ-2-ヒロドキシベンズアルデヒド5-フルオロ-2-ヒドロキシベンズアルデヒド5-フルオロ-2-ヒドロキシベンズアルデヒド, 98+%2-ヒドロキシ-5-フルオロベンズアルデヒド5-FluoroSalicylicAldehyde5-Fluorosalicylaldehyde>5-Fluorosalicylaldehyde 97%5-FLUORO-2-HYDROXYBENZALDEHY5-Fluorosalicylaldehyde, 98+%5-Fluorosalicylaldehyde, 97%,5-Fluoro-2-hydroxybenzaldehyde,97%

Z415638796Benzaldehyde, 5-fluoro-2-hydroxy-5-fluoro-2-hydroxy-benzaldehyde2-hydroxy-5-fluorobenzaldehydeBCP184385-fluoro salicylaldehydeAM20040233FT-0631996

データベース識別子

CAS: 347-54-6
PubChem CID: 2737328
DTXSID: DTXSID50371994
EC Number: 626-267-9
Nikkaji: J612.214K

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: 82 · 82-85 °C (lit.)
沸点: 56 °C · 56 °C / 1mmHg
比重(密度): 1.35 · 1.350±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
酸解離定数(Pka): 8.18 · 8.18±0.18(Predicted)
外見: パウダーまたはフレーク
色: White to Orange to Green
InChI: InChI=1S/C7H5FO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=CC=C1O
CAS データベース: 347 · 347-54-6(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用5-Fluorosalicylaldehyde may be used to synthesize:managanese (III) complex [MnLa(μ1,3-N3)]n [H2La = N,N′-bis(5-fluorosalicylidene)-1,2-diaminoethane]enantiopure 4-amino-6-fluoro-3-(hydroxymethyl)chromanes4,4′-difluoro-2,2′-[(hydrazine-1,2-diylidene)bis(methanylylidene)]-diphenolN,N′-bis(5-fluoro-2-hydroxybenzylidene)ethylenediamineN,N′-(2-hydroxypropane-1,3-diyl)-bis(salicylaldimine (H2L)

一般的な説明5-Fluorosalicylaldehyde can be synthesized from 4-fluorophenol.