3,4-Difluorobenzaldehyde

HCID 588088CAS 34036-07-2

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Grundinformationen

Standard-SMILES: O=Cc1ccc(F)c(F)c1
InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N
Summenformel: C7H4F2O
Durchschnittliche Molmasse: 142,1 g/mol
Monoisotopische Masse: 142,02302119

Namen und Bezeichner

Bevorzugter Name: 3,4-Difluorobenzaldehyde
IUPAC: 3,4-difluorobenzaldehyde
Englischer Name: 3,4-Difluorobenzaldehyde
Summenformel: C7H4F2O
Molmasse: 142.1

Namen und Synonyme

3,4-Difluorobenzaldehyde34036-07-2DTXSID00343186RefChem:486027DTXCID60294266422-180-3608-940-9Benzaldehyde, 3,4-difluoro-MFCD000103283,4-difluoro-benzaldehyde3,4-difluoro-benzaldehyeAKOS000120438

Weitere Namen anzeigen

3,4-Difluorobenzalde3,4-fluorobenzaldehyde3,4-Difluorbenzaldehyd3,4-DIFLOUROBENZALDEHYDE3,6-Difluoroacetophenone3, 4-2 fluoro benzaldehyde3,4-Difluorobenzaldehyde>Benzaldehyde, 3,4-difluoro-3,4-Difluorobenzaldehyde 98%

CS-W008607AC-3835D2340F2190-0603Z1044778003.4-difluorobenzaldehyde3,4-difluro-benzaldehyd3,4 difluorobenzaldehyde

Datenbank-Bezeichner

CAS: 34036-07-2
PubChem CID: 588088
DTXSID: DTXSID00343186
EC Number: 422-180-3、608-940-9
Nikkaji: J713.117H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Siedepunkt: 53 · 53-55°C (15 mmHg)
Dichte: 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5(lit.)
Flammpunkt: 150 °F · 150 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 3.962 g/l · 3.962g/l
Aggregatzustand: Liquid
Wichte: 1.288 · 1.288
Farbe: Clear colorless to yellow
BRN: 2241231 · 2241231
InChI: InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C(F)=C1
CAS Datenbank: 34036 · 34036-07-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9158

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 4 (33.3%)

Skin Irrit. 2 (100%)

Sicherheitsdaten

F: 10-21
wgk: 2
hs_code: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39-36/37
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden3,4-Difluorobenzaldehyde is used in the synthesis of fluorine-substituted analogs of Curcumin (C838500), as chemopreventive and/or therapeutic agents against cancers and/or against the development of drug-resistant cancer.