2,6-Difluoro-4-methoxybenzaldehyde

HCID 3703713

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Grundinformationen

CAS: 256417-10-4
Standard-SMILES: COc1cc(F)c(C=O)c(F)c1
InChIKey: ZYABCGOTMDPUDD-UHFFFAOYSA-N
Summenformel: C8H6F2O2
Durchschnittliche Molmasse: 172,13 g/mol
Monoisotopische Masse: 172,03358587

Namen und Bezeichner

Bevorzugter Name: 2,6-Difluoro-4-methoxybenzaldehyde
IUPAC: 2,6-difluoro-4-methoxybenzaldehyde
Englischer Name: 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE
Summenformel: C8H6F2O2
Molmasse: 172.13

Namen und Synonyme

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

Weitere Namen anzeigen

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%

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-77 °C(lit.)
Siedepunkt: 207.1 · 207.1±35.0 °C(Predicted)
Dichte: 1.289 · 1.289±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: 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 Datenbank: 256417 · 256417-10-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 38-41
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-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.