2-Fluoro-N-methylaniline

HCID 2759010CAS 1978-38-7

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Grundinformationen

Standard-SMILES: CNc1ccccc1F
InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N
Summenformel: C7H8FN
Durchschnittliche Molmasse: 125,14 g/mol
Monoisotopische Masse: 125,06407748

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-N-methylaniline
IUPAC: 2-fluoro-N-methylaniline
Englischer Name: 2-Fluoro-N-methylaniline
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

2-Fluoro-N-methylaniline1978-38-7DTXSID30374600RefChem:472602DTXCID10325630672-677-6n-methyl-2-fluoroanilineBenzenamine, 2-fluoro-N-methyl-2-fluoro-N-methyl-anilinen-(2-fluorophenyl)-n-methylamineMFCD00028030(2-fluoro-phenyl)-methyl-amine

Weitere Namen anzeigen

uoro-N-methyL2-Fluoro-N-methylani2-Fluoro-N-methylanineo-Fluoro-N-MethylanilineN-Methyl-o-fluoroaniline2-Fluoro-N-methylaniline>2-FLUORO-N-METHYLANILINE 98%2-Fluoro-N-MethylbenzenaMine

AKOS000259941CS-W013511AC-13791EN300-59274F11218Z335276746o-Fluoro-N-methylaniline; 2-Fluoro-N-methylbenzenamine; N-(2-Fluorophenyl)methylamine; N-Methyl-2-fluoroaniline; N-Methyl-o-fluoroaniline;AM20030278

Datenbank-Bezeichner

CAS: 1978-38-7
PubChem CID: 2759010
DTXSID: DTXSID30374600
EC Number: 672-677-6
Nikkaji: J2.329.602K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 87 · 87-88°C/20mm
Dichte: 1.1 g/ml · 1.1g/ml
Brechungsindex: 1.534 · 1.5340-1.5390
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: clear liquid
pka: 3.65 · 3.65±0.10(Predicted)
Farbe: Colorless to Light yellow
InChI: InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N
SMILES: C1(NC)=CC=CC=C1F
CAS Datenbank: 1978 · 1978-38-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H227 (25%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (25%)

Sicherheitsdaten

hs_code: 29215900
risk_code: 36/37/38-25
hazard_code: T
safety_code: 26-36/37/39-45-24/25

Chemie und Industrie

Anwendungen

Verwenden2-Fluoro-N-methylaniline is an aniline derivative used in the preparation of various pharmaceutical compounds such as muscarinic agonists.