3-Methyl-4-methoxybenzenamine

HCID 67297CAS 136-90-3

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Grundinformationen

Standard-SMILES: COc1ccc(N)cc1C
InChIKey: NFWPZNNZUCPLAX-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 3-Methyl-4-methoxybenzenamine
IUPAC: 4-methoxy-3-methylaniline
Englischer Name: 4-methoxy-3-methylaniline
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

4-Methoxy-3-methylaniline3-Methyl-4-methoxybenzenamineRefChem:503884687-346-1136-90-34-methoxy-3-methylphenylamine3-Methyl-4-methoxyaniline4-Amino-2-methylanisoleBenzenamine, 4-methoxy-3-methyl-4-Methoxy-3-methylbenzenamineMFCD07779234t-hexyl peroxy-2-ethyl hexanoate

Weitere Namen anzeigen

4-AMINO-24-AMINO-2-METHYLANISOLE-METHYLANISOLE4-AMino-2-Methylanisole[4-Methoxy-3-Methylaniline]

p-Anisidine, 3-methyl-4-methoxy-3-methyl-aniline4-Methoxy-3-methylaniline, 98%3-Methyl-p-anisidineSY04549010.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-NCEFEPIMESULFATEBB 0257088

Datenbank-Bezeichner

CAS: 136-90-3
PubChem CID: 67297
DTXSID: DTXSID20159625
EC Number: 687-346-1
Nikkaji: J10.039K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-60℃
Siedepunkt: 252.03 °C · 252.03°C (rough estimate)
Dichte: 1.063 · 1.0630 (rough estimate)
Brechungsindex: 1.536 · 1.5360 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 5.32 · 5.32±0.10(Predicted)
Farbe: Dark Red to Black
InChI: 1S/C8H11NO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,9H2,1-2H3
InChIKey: NFWPZNNZUCPLAX-UHFFFAOYSA-N
SMILES: COc1ccc(N)cc1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 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: 3
hs_code: 2922290090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3