4-Aminonicotinaldehyde

HCID 2761033

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 42373-30-8
Standard-SMILES: Nc1ccncc1C=O
InChIKey: GTPZHMGXKZIHKW-UHFFFAOYSA-N
Summenformel: C6H6N2O
Durchschnittliche Molmasse: 122,12 g/mol
Monoisotopische Masse: 122,04801282

Namen und Bezeichner

Bevorzugter Name: 4-Aminonicotinaldehyde
IUPAC: 4-aminopyridine-3-carbaldehyde
Englischer Name: 4-Amino-3-formylpyridine
Summenformel: C6H6N2O
Molmasse: 122.12

Namen und Synonyme

4-aminonicotinaldehyde42373-30-84-Amino-pyridine-3-carboxaldehydeDTXSID50375492RefChem:518252DTXCID50326520108-539-4640-126-94-Amino-3-formylpyridine4-aminopyridine-3-carbaldehyde4-aminopyridine-3-carboxaldehyde4-amino-pyridine-3-carbaldehyde

Weitere Namen anzeigen

Zinc014950014-Aminonicotinaldehyde 99%4-Aminopyridin-3-carbaldehyde4-aMino-3-pyridinecarbaldehyde4-aminopyridine-3-formaldehyde4-AMINO-3-PYRIDINECARBOXALDEHYDE

MFCD04038972STK689820CS-W008204PS-5044SY022278EN300-732994-Amino-pyridine-3-carboxaldehyde, AldrichCPRA6924

Datenbank-Bezeichner

CAS: 42373-30-8
PubChem CID: 2761033
DTXSID: DTXSID50375492
EC Number: 108-539-4、640-126-9
Nikkaji: J992.434E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 56 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 97 · 97-98
Siedepunkt: 342.2 · 342.2±27.0 °C(Predicted)
Dichte: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
pka: 6.96 · 6.96±0.12(Predicted)
Aggregatzustand: Powder
Farbe: White to light yellow to cream
InChI: 1S/C6H6N2O/c7-6-1-2-8-3-5(6)4-9/h1-4H,(H2,7,8)
InChIKey: GTPZHMGXKZIHKW-UHFFFAOYSA-N
SMILES: Nc1ccncc1C=O
CAS Datenbank: 42373 · 42373-30-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (83%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 47 reports by companies from 7 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.