2-Isopropylpyridin

2-Isopropylpyridine

HCID 69523CAS 644-98-4

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Grundinformationen

Standard-SMILES: CC(C)c1ccccn1
InChIKey: PFYPDUUXDADWKC-UHFFFAOYSA-N
Summenformel: C8H11N
Durchschnittliche Molmasse: 121,18 g/mol
Monoisotopische Masse: 121,08914936

Namen und Bezeichner

Bevorzugter Name: 2-Isopropylpyridine
IUPAC: 2-propan-2-ylpyridine
Lokaler Name: 2-Isopropylpyridin
Englischer Name: 2-ISOPROPYL PYRIDINE
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

2-Isopropylpyridine644-98-4Pyridine, 2-(1-methylethyl)-2-(2-Pyridyl)propane7IZ3XFD8G4PYRIDINE, 2-ISOPROPYL-EINECS 211-426-3NSC-42615NSC 42615RefChem:473929211-426-3InChI=1/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H

Weitere Namen anzeigen

2-(1-Methylethyl)-Pyridine

2-Isopropyl pyridine2-propan-2-ylpyridineMFCD00047438isopropylpyridine2-(propan-2-yl)pyridine2-isopropyl-pyridine75981-47-4NSC42615

Datenbank-Bezeichner

CAS: 644-98-4、75981-47-4
PubChem CID: 69523
DTXSID: DTXSID10862353
UNII: 7IZ3XFD8G4
EC Number: 211-426-3
Nikkaji: J135.631C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 78

Physikochemische Eigenschaften

Schmelzpunkt: -141 °C · -141°C
Siedepunkt: 160 ℃ · 160℃
Dichte: 1.45 · 1.45
Brechungsindex: 1.523 · 1.5230
Flammpunkt: 23 ℃ · 23℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
pka: 1 · pK1:5.83(+1) (25°C)
Farbe: Light brown
Geruch (Odor): 0.01 % · at 0.01 % in propylene glycol. green vegetable cortex
Geruchsart: green
InChI: InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3
InChIKey: PFYPDUUXDADWKC-UHFFFAOYSA-N
SMILES: C1(C(C)C)=NC=CC=C1
LogP: 2.206 · 2.206 (est)

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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1377 reports by companies from 4 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.