4-Fluoro-N-methoxy-N-methylbenzamide

HCID 14069347

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Grundinformationen

CAS: 116332-54-8
Standard-SMILES: CON(C)C(=O)c1ccc(F)cc1
InChIKey: DSUFRPVVBZLHPI-UHFFFAOYSA-N
Summenformel: C9H10FNO2
Durchschnittliche Molmasse: 183,18 g/mol
Monoisotopische Masse: 183,06955678

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-N-methoxy-N-methylbenzamide
IUPAC: 4-fluoro-N-methoxy-N-methylbenzamide
Englischer Name: 4-Fluoro-N-methoxy-N-methylbenzamide
Summenformel: C9H10FNO2
Molmasse: 183.18

Namen und Synonyme

4-FLUORO-N-METHOXY-N-METHYLBENZAMIDE116332-54-8DTXSID00555388RefChem:98995DTXCID80506171820-825-7Benzamide, 4-fluoro-N-methoxy-N-methyl-MFCD02179265N-methoxy-N-methyl-4-fluorobenzamiden-methyl,n-methoxy-4-fluorobenzamiden-methyl-n-methoxy-4-fluorobenzamide4-fluoro-N-methoxy-N-methyl-benzamide

Weitere Namen anzeigen

SKL799pFB-DMHHUORO-N-METHOXY-N-METHYL4-Fluoro-N-methyl-N-methoxybenzamideN-Methoxy-N-methyl-4-fluorobenzaldehyde4-Fluoro-N-methoxy-N-methylbenzamide 98%4-FLUORO-N-METHOXY-N-METHYLBENZAMIDE(WXFC0878)

GS-6370CS-0042878EN300-202846Z54739555A803598SCHEMBL3066004-Fluoro-N-methoxy-N-metylbenzamideAB9349

Datenbank-Bezeichner

CAS: 116332-54-8
PubChem CID: 14069347
DTXSID: DTXSID00555388
EC Number: 820-825-7
Nikkaji: J2.166.138D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Siedepunkt: 301.6 · 301.6±25.0 °C(Predicted)
Dichte: 1.179 · 1.179±0.06 g/cm3(Predicted)
Brechungsindex: 1.51 · 1.51
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: White to Yellow to Green
InChI: InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKey: DSUFRPVVBZLHPI-UHFFFAOYSA-N
SMILES: C(N(OC)C)(=O)C1=CC=C(F)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2928009090

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4-Fluoro-N-methoxy-N-methylbenzamide is a fluorinated aromatic. As an organofluorine compound, it can synthesise pyridyl heterocycles and photochromic compounds. 4-Fluoro-N-methoxy-N-methylbenzamide can form exocyclic fluorinating agents by reacting with iodides. It can form complexes with copper or zinc as a ligand and convert metal hydroxides into metal carbonyls as a carbonylative agent. As a phosphine, it can be converted into carboxylic acids through hydrolysis or oxidation.