2-Fluoro-4-hydroxybenzaldehyde

HCID 587246CAS 348-27-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(O)cc1F
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
Summenformel: C7H5FO2
Durchschnittliche Molmasse: 140,11 g/mol
Monoisotopische Masse: 140,02735762

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-hydroxybenzaldehyde
IUPAC: 2-fluoro-4-hydroxybenzaldehyde
Englischer Name: 2-Fluoro-4-hydroxybenzaldehyde
Summenformel: C7H5FO2
Molmasse: 140.11

Namen und Synonyme

2-Fluoro-4-hydroxybenzaldehyde348-27-6DTXSID30343078RefChem:87074DTXCID90294158642-692-2MFCD067979182-Fluoro-4-hydroxy-benzaldehydeBenzaldehyde, 2-fluoro-4-hydroxy-2-Fluoro-4-hydroxybenzaldehyde #CS-W007665PS-9051

Weitere Namen anzeigen

3-Fluoro-4-formylphenol2-Fluoro-6-nitroacetophenone2-FLURO-4-HYDROXYBENZALDEHYDE2-Fluoro-4-hydroxybenzaldehyde,98%

SY030021EN300-111550Z1201623850A6112FT-0601375SCHEMBL1890184-Hydroxy-2-fluorobenzaldehydeSCHEMBL3810952

Datenbank-Bezeichner

CAS: 348-27-6
PubChem CID: 587246
DTXSID: DTXSID30343078
ChEMBL: CHEMBL1650249
EC Number: 642-692-2
Nikkaji: J2.186.506K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Schmelzpunkt: 168 · 168-170°C
Siedepunkt: 254.2 · 254.2±20.0 °C(Predicted)
Dichte: 1.35 · 1.350±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: crystalline powder
pka: 6.78 · 6.78±0.18(Predicted)
Farbe: Light tan
InChI: InChI=1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1F
CAS Datenbank: 348 · 348-27-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 37 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2912490090
risk_code: 22-37/38-41-52
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-39

Chemie und Industrie

Anwendungen · 2 Einträge

Verwenden2-Fluoro-4-hydroxybenzaldehyde is a useful reagent for preparation of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.

Verwenden2-Fluoro-4-hydroxybenzaldehyde is mainly used as an intermediate for physiologically active compounds such as pharmaceuticals or pesticides and is a wide range of organic building blocks. Its structure contains fluorine, aldehyde groups, and phenolic hydroxyl groups, and these groups can add or replace other functional groups.