5-Methylpyridin-2-carbonitril

5-Methylpicolinonitrile

HCID 74183CAS 1620-77-5

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Grundinformationen

Standard-SMILES: Cc1ccc(C#N)nc1
InChIKey: LIEQVZZZYLHNRH-UHFFFAOYSA-N
Summenformel: C7H6N2
Durchschnittliche Molmasse: 118,14 g/mol
Monoisotopische Masse: 118,05309819

Namen und Bezeichner

Bevorzugter Name: 5-Methylpicolinonitrile
IUPAC: 5-methylpyridine-2-carbonitrile
Lokaler Name: 5-Methylpyridin-2-carbonitril
Englischer Name: 2-Cyano-5-methylpyridine
Summenformel: C7H6N2
Molmasse: 118.14

Namen und Synonyme

2-cyano-5-methylpyridine5-methylpicolinonitrile5-Methylpyridine-2-carbonitrile2-Pyridinecarbonitrile, 5-methyl-5-Methyl-2-pyridinecarbonitrile5-methyl-2-cyanopyridineBTZ4BG8Z8DDTXSID20167285RefChem:198958DTXCID50897761620-77-55-Methyl-pyridine-2-carbonitrile

Weitere Namen anzeigen

5-Methypicolinonitrile-pyridine-2-carbonitriL2-Cyano-5-methylpyridine >2-Cyano-5-methylpyridine ,97%5-Methylpyridin-2-carbonitrile

MFCD062008306-Cyano-3-picoline2-CYANO-5-PICOLINEEINECS 216-589-45-methyl picolinonitrileUNII-BTZ4BG8Z8D5-methyl-2-cyano-pyridineSCHEMBL81947

Datenbank-Bezeichner

CAS: 1620-77-5
PubChem CID: 74183
DTXSID: DTXSID20167285
UNII: BTZ4BG8Z8D
EC Number: 216-589-4
Nikkaji: J195.246C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-75°C
Siedepunkt: 140 °C/20mmHg · 140°C/20mmHg(lit.)
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Solid
pka: -0.03 · -0.03±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C7H6N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,1H3
InChIKey: LIEQVZZZYLHNRH-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(C)C=C1
CAS Datenbank: 1620 · 1620-77-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Sicherheitsdaten

ridadr: 3439
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: Ⅲ

Chemie und Industrie

Anwendungen

Verwenden2-Cyano-5-methylpyridine (5-methylpicolinonitrile) is a methylpyridine analogue mainly used as a raw material or intermediate component in organic synthesis. It is used in the synthesis of 5-Methylpicolinaldehyde and its derivatives.