2-Methoxy-N-methylaniline

HCID 2759579

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Grundinformationen

CAS: 10541-78-3
Standard-SMILES: CNc1ccccc1OC
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-N-methylaniline
IUPAC: 2-methoxy-N-methylaniline
Englischer Name: 2-METHOXY-N-METHYANILINE
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

2-Methoxy-N-methylaniline10541-78-3DTXSID80374852RefChem:262732DTXCID60325882626-413-12-Methoxy-N-methyanilineMFCD03093822N-Methyl-2-anisidineBenzenamine, 2-methoxy-N-methyl-2-methoxy-N-methyl-aniline(2-methoxy-phenyl)-methyl-amine

Weitere Namen anzeigen

2-METHOXY-N-METHYANIN-METHYL-O-ANISIDINEo-Methoxy-N-methylaniline2-Methoxy-N-Methylaniline 97%2-Methoxy-N-Methyaniline ,97%Benzenamine,2-methoxy-N-methyl-

N-methyl o-AnisidineUrapidil Impurity 1052-methoxyl-N-methylaniline2-methoxyl -N-methylanilineN-methyl ortho-methoxyanilineSCHEMBL360495SCHEMBL360496SCHEMBL1355824

Datenbank-Bezeichner

CAS: 10541-78-3
PubChem CID: 2759579
DTXSID: DTXSID80374852
EC Number: 626-413-1
Nikkaji: J920.005C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 95,3

Physikochemische Eigenschaften

Schmelzpunkt: 30 · 30-34 °C (lit.)
Siedepunkt: 115 °C · 115 °C
Dichte: 1.032 · 1.032±0.06 g/cm3(Predicted)
Flammpunkt: 209 °F · 209 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 4.8 · 4.80±0.10(Predicted)
Farbe: Pale yellow
InChI: InChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
SMILES: C1(NC)=CC=CC=C1OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 29222990
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1

Chemie und Industrie

Anwendungen

VerwendenAs an organic synthesis intermediate, 2-methoxy-N-methylaniline can be used to synthesize various complex organic molecules, especially in the fields of medicine and pesticide chemistry.