2-(4-Methoxy-2-methylphenyl)acetonitrile

HCID 3801024CAS 262298-02-2

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Grundinformationen

Standard-SMILES: COc1ccc(CC#N)c(C)c1
InChIKey: IXOPCMZOHYZDMX-UHFFFAOYSA-N
Summenformel: C10H11NO
Durchschnittliche Molmasse: 161,2 g/mol
Monoisotopische Masse: 161,08406397

Namen und Bezeichner

Bevorzugter Name: 2-(4-Methoxy-2-methylphenyl)acetonitrile
IUPAC: 2-(4-methoxy-2-methylphenyl)acetonitrile
Englischer Name: 4-Methoxy-2-methylphenylacetonitrile
Summenformel: C10H11NO
Molmasse: 161.2

Namen und Synonyme

2-(4-methoxy-2-methylphenyl)acetonitrileRefChem:457882607-891-04-Methoxy-2-methylphenylacetonitrile262298-02-2Benzeneacetonitrile, 4-methoxy-2-methyl-MFCD021783882-METHYL-4-METHOXYPHENYLACETONITRILESCHEMBL1237862DTXSID603966132-(4-methoxy-2-methyl-phenyl)acetonitrile4-Methoxy-2-methylbenzyl cyanide

Weitere Namen anzeigen

4-methoxy-2-methylphenylaccetonitrile4-Methoxy-2-Methyl-Benzeneacetonitrile

IXOPCMZOHYZIXOPCMZOHYZDMX-UHFFFAOYSA-NCL8765AKOS006280230(4-methoxy-2-methylphenyl)acetonitrileSY106580TS-02149DB-006856

Datenbank-Bezeichner

CAS: 262298-02-2
PubChem CID: 3801024
DTXSID: DTXSID60396613
EC Number: 607-891-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 33 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Siedepunkt: 291.4 · 291.4±25.0 °C(Predicted)
Dichte: 1.033 · 1.033±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.；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.