4-(Dimethylamino)-2-methoxybenzaldehyde

HCID 291350CAS 84562-48-1

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Grundinformationen

Standard-SMILES: COc1cc(N(C)C)ccc1C=O
InChIKey: HGDRXADJVGVGBC-UHFFFAOYSA-N
Summenformel: C10H13NO2
Durchschnittliche Molmasse: 179,22 g/mol
Monoisotopische Masse: 179,09462866

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)-2-methoxybenzaldehyde
IUPAC: 4-(dimethylamino)-2-methoxybenzaldehyde
Englischer Name: 4-Dimethylamino-2-methoxybenzaldehyde
Summenformel: C10H13NO2
Molmasse: 179.22

Namen und Synonyme

4-(dimethylamino)-2-methoxybenzaldehydeRefChem:515932677-050-084562-48-14-DIMETHYLAMINO-2-METHOXYBENZALDEHYDEMFCD001518144-(dimethylamino)-2-methoxy-benzaldehydeBenzaldehyde, 4-(dimethylamino)-2-methoxy-2-methoxy-4-dimethylaminobenzaldehydeNSC1565444-dimethylamino-2-methoxy-benzaldehydeSCHEMBL154497

Weitere Namen anzeigen

NSC 156544

4-Dimethylamino-o-anisaldehydeSCHEMBL7280865DTXSID90303077AKOS015850832NSC-156544AS-65636FM168105SY317423

Datenbank-Bezeichner

CAS: 84562-48-1
PubChem CID: 291350
DTXSID: DTXSID90303077
EC Number: 677-050-0
Nikkaji: J1.234.232B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60°C
Siedepunkt: 150 · 150-152 °C(Press: 0.1 Torr)
Dichte: 1.098 · 1.098±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: 0.32 g/L · Slightly soluble 0.32 g/L at 25°C.
pka: 1.34 · 1.34±0.22(Predicted)
BRN: 2719181 · 2719181
CAS Datenbank: 84562 · 84562-48-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 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.