2-(Methoxymethyl)aniline

HCID 12334306CAS 62723-78-8

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Grundinformationen

Standard-SMILES: COCc1ccccc1N
InChIKey: ZHERWZMAGGWSIX-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 2-(Methoxymethyl)aniline
IUPAC: 2-(methoxymethyl)aniline
Englischer Name: 2-(methoxymethyl)aniline
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

2-(methoxymethyl)aniline62723-78-8DTXSID30491023RefChem:84765DTXCID00441833815-868-3MFCD098117782-methoxymethylanilineBenzenamine, methoxymethyl-Benzenamine, 2-(methoxymethyl)-o-methoxymethylanilineSCHEMBL1720477

Weitere Namen anzeigen

SCHEMBL27866350ZHERWZMAGGWSIX-UHFFFAOYSA-NMCA72378AKOS000159241BS-13226SY175179EN300-41039G41901

Datenbank-Bezeichner

CAS: 62723-78-8
PubChem CID: 12334306
DTXSID: DTXSID30491023
EC Number: 815-868-3
Nikkaji: J1.802.504C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Siedepunkt: 106 · 106-108 °C(Press: 11 Torr)
Dichte: 1.048 · 1.048±0.06 g/cm3(Predicted)
pka: 3.68 · 3.68±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 31 reports by companies from 4 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.