3-Fluor-p-anisaldehyd

3-Fluoro-p-anisaldehyde

HCID 67696CAS 351-54-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1ccc(C=O)cc1F
InChIKey: SOQCZBSZZLWDGU-UHFFFAOYSA-N
Summenformel: C8H7FO2
Durchschnittliche Molmasse: 154,14 g/mol
Monoisotopische Masse: 154,04300768

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-p-anisaldehyde
IUPAC: 3-fluoro-4-methoxybenzaldehyde
Lokaler Name: 3-Fluor-p-anisaldehyd
Englischer Name: 3-Fluoro-4-methoxybenzaldehyde
Summenformel: C8H7FO2
Molmasse: 154.14

Namen und Synonyme

3-Fluoro-4-methoxybenzaldehyde351-54-23-Fluoro-p-anisaldehydeEINECS 206-514-3SOQCZBSZZLWDGU-UHFFFAOYSA-DTXSID20188596RefChem:501926DTXCID80111087206-514-3InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3MFCD000033493-fluoro-4-anisaldehyde

Weitere Namen anzeigen

3-Fluoroanisaldehyde3-fluoro-para-anisaldehyde3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE4-Methoxy-3-fluorobenzaldehyde3-Fluoro-4-methoxybenzaldehyde,98%3-fluoro-4-methoxybenzaldehyde(SALTDATA: FREE)

Benzaldehyde, 3-fluoro-4-methoxy-3-fluoro-4-methoxy-benzaldehydeK2CG7GUS9W3-fluoro-4-methoxy benzaldehyde3-Fluoro-p-anisaldehyde;4-Methoxy-3-fluorobenzaldehyde;3-fluoro-anisaldehydeUNII-K2CG7GUS9W

Datenbank-Bezeichner

CAS: 351-54-2
PubChem CID: 67696
DTXSID: DTXSID20188596
UNII: K2CG7GUS9W
EC Number: 206-514-3
Nikkaji: J35C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-35 °C (lit.)
Siedepunkt: 129 · 129-132°C 11mm
Dichte: 1.192 · 1.192±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Clear Colourless
BRN: 1942621 · 1942621
InChI: InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey: SOQCZBSZZLWDGU-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC)C(F)=C1
CAS Datenbank: 351 · 351-54-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 37/39-26-36
hazard_class: IRRITANT, AIR SENSITIVE
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.