p-(Difluormethoxy)benzaldehyd

p-(Difluoromethoxy)benzaldehyde

HCID 2736986CAS 73960-07-3

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Grundinformationen

Standard-SMILES: O=Cc1ccc(OC(F)F)cc1
InChIKey: ZWCXOJYJJINQGU-UHFFFAOYSA-N
Summenformel: C8H6F2O2
Durchschnittliche Molmasse: 172,13 g/mol
Monoisotopische Masse: 172,03358575

Namen und Bezeichner

Bevorzugter Name: p-(Difluoromethoxy)benzaldehyde
IUPAC: 4-(difluoromethoxy)benzaldehyde
Lokaler Name: p-(Difluormethoxy)benzaldehyd
Englischer Name: 4-(DIFLUOROMETHOXY)BENZALDEHYDE
Summenformel: C8H6F2O2
Molmasse: 172.13

Namen und Synonyme

4-(Difluoromethoxy)benzaldehyde73960-07-3p-(Difluoromethoxy)benzaldehydeEINECS 277-653-5DTXSID30224696RefChem:857943DTXCID60147187277-653-54-difluoromethoxybenzaldehydeMFCD00042252benzaldehyde, 4-(difluoromethoxy)-P-DIFLUOROMETHOXYBENZALDEHYDE

Weitere Namen anzeigen

AKOS B006820AKOS BBS-00000693VITAS-BB TBB000651TIMTEC-BB SBB003837BENZALDEHYDE,4-(DIFLUOROMETHOXY)4-(Difluoromethoxy)benzaldehyde>4-(Difluoromethoxy)benzaldehyde98%4-(Difluoromethoxy)benzaldehyde 98%

4-difluoromethoxy benzaldehyde4-Difluoromethoxy-benzaldehydeWE2PLJ94SASCHEMBL607344SCHEMBL2172130ALBB-000217CL8351SBB003837

Datenbank-Bezeichner

CAS: 73960-07-3
PubChem CID: 2736986
DTXSID: DTXSID30224696
UNII: WE2PLJ94SA
EC Number: 277-653-5
Nikkaji: J318.902C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 142

Physikochemische Eigenschaften

Siedepunkt: 222 °C · 222 °C (lit.)
Dichte: 1.302 g/mL · 1.302 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.503(lit.)
Flammpunkt: 228 °F · 228 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 3049286 · 3049286
InChI: 1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKey: ZWCXOJYJJINQGU-UHFFFAOYSA-N
SMILES: FC(F)Oc1ccc(C=O)cc1
CAS Datenbank: 73960 · 73960-07-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): 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 8 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden4-(Difluoromethoxy)benzaldehyde may be used for the preparation of 4-(4-difluoro-methoxy-phen-yl)-1,2,3,4,5,6,7,8-octa-hydro-quinazoline-2,5-dione, via one-pot three-component reaction with cyclo-hexane-1,3-dione and urea.