1-Ethyl-1H-pyrazole-4-carboxaldehyde

HCID 2758900

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Grundinformationen

CAS: 304903-10-4
Standard-SMILES: CCn1cc(C=O)cn1
InChIKey: UMSDESWKSPAALM-UHFFFAOYSA-N
Summenformel: C6H8N2O
Durchschnittliche Molmasse: 124,14 g/mol
Monoisotopische Masse: 124,06366288

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-1H-pyrazole-4-carboxaldehyde
IUPAC: 1-ethylpyrazole-4-carbaldehyde
Englischer Name: 1-Ethyl-1H-pyrazole-4-carbaldehyde
Summenformel: C6H8N2O
Molmasse: 124.14

Namen und Synonyme

304903-10-41-ethyl-1h-pyrazole-4-carboxaldehydeRefChem:432347673-177-01-Ethyl-1H-pyrazole-4-carbaldehyde1-ethylpyrazole-4-carbaldehyde1H-pyrazole-4-carboxaldehyde, 1-ethyl-MFCD02090888N-Ethyl-4-fomylpyrazole1-ethylpyrazole-4-carboxaldehydeSCHEMBL125993DTXSID10374547

Weitere Namen anzeigen

e-4-carbaLAKOS B000402AKOS PAO-0266BUTTPARK 121\06-90CHEMBRDG-BB 4003132ART-CHEM-BB B000402TIMTEC-BB SBB0000031-Ethyl-4-formyl-1H-pyrazole1-ethyl-4-pyrazolecarboxaldehyde

ALBB-000102SBB000003STK313394AKOS000265783AB91816PS-4062AC-27329BP-11050

Datenbank-Bezeichner

CAS: 304903-10-4
PubChem CID: 2758900
DTXSID: DTXSID10374547
EC Number: 673-177-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 34,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Siedepunkt: 72 °C/1.8mm · 72°C/1.8mm
Dichte: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 0.19 · 0.19±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Clear, dark yellow to orange
InChI: InChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h3-5H,2H2,1H3
InChIKey: UMSDESWKSPAALM-UHFFFAOYSA-N
SMILES: N1(CC)C=C(C=O)C=N1
CAS Datenbank: 304903 · 304903-10-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 3 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.