2-Methylpyrimidine-5-carbaldehyde

HCID 3160970CAS 90905-33-2

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Grundinformationen

Standard-SMILES: Cc1ncc(C=O)cn1
InChIKey: IJBONYUNKRDIFC-UHFFFAOYSA-N
Summenformel: C6H6N2O
Durchschnittliche Molmasse: 122,12 g/mol
Monoisotopische Masse: 122,04801282

Namen und Bezeichner

Bevorzugter Name: 2-Methylpyrimidine-5-carbaldehyde
IUPAC: 2-methylpyrimidine-5-carbaldehyde
Englischer Name: 2-Methylpyrimidine-5-carbaldehyde
Summenformel: C6H6N2O
Molmasse: 122.12

Namen und Synonyme

2-methylpyrimidine-5-carbaldehyde90905-33-2DTXSID10390282RefChem:263986DTXCID60341143827-790-75-Formyl-2-methylpyrimidine2-Methyl-pyrimidine-5-carbaldehydeMFCD071864342-METHYL-5-PYRIMIDINECARBALDEHYDE2-methyl-5-formyl-pyrimidine2-Methyl-pyridine-5-carboxaldehyde

Weitere Namen anzeigen

2-Methyl-pyriMidin-carbaldehyde2-Methylpyrimidine-5-carbaldehyd2-Methylpyrimidine-5-carboxyaldehyde5-Pyrimidinecarboxaldehyde,2-methyl-

2-methyl-pyrimidine-5-carboxaldehydeSTL553933AKOS0002838542-Methyl-5-pyrimidinecarboxaldehydeF9995-41885-PYRIMIDINECARBOXALDEHYDE, 2-METHYL-BCP03539FT-0603734

Datenbank-Bezeichner

CAS: 90905-33-2
PubChem CID: 3160970
DTXSID: DTXSID10390282
EC Number: 827-790-7
Nikkaji: J433.189C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-690C
Siedepunkt: 213.7 · 213.7±13.0 °C(Predicted)
Dichte: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: 0.28 · 0.28±0.22(Predicted)
Farbe: Pale Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 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.