2-Methylpyridine-3-carbonitrile

HCID 4738308CAS 1721-23-9

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Grundinformationen

Standard-SMILES: Cc1ncccc1C#N
InChIKey: UBKKNWJGYLSDSJ-UHFFFAOYSA-N
Summenformel: C7H6N2
Durchschnittliche Molmasse: 118,14 g/mol
Monoisotopische Masse: 118,0530982

Namen und Bezeichner

Bevorzugter Name: 2-Methylpyridine-3-carbonitrile
IUPAC: 2-methylpyridine-3-carbonitrile
Englischer Name: 3-Cyano-2-methylpyridine
Summenformel: C7H6N2
Molmasse: 118.14

Namen und Synonyme

2-methylpyridine-3-carbonitrileRefChem:476232888-481-03-Cyano-2-methylpyridine1721-23-92-METHYLNICOTINONITRILE2-Methyl-3-cyanopyridine2-Methyl-nicotinonitrileMFCD062544203-PYRIDINECARBONITRILE, 2-METHYL-SCHEMBL155110DTXSID70406191

Weitere Namen anzeigen

2-Methylpyridin-3-carbonitrile3-Cyano-2-methylpyridine ISO 9001：2015 REACH3-Cyano-2-methylpyridine 2-Methylnicotinonitrile

AB2931AKOS002336169PB23449SY041601TS-01606CS-00518302-METHYL-3-PYRIDINECARBONITRILEmethylnicotinonitrile

Datenbank-Bezeichner

CAS: 1721-23-9
PubChem CID: 4738308
DTXSID: DTXSID70406191
EC Number: 888-481-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
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: 58 °C · 58 °C
Siedepunkt: 95 · 95-105 °C(Press: 13 Torr)
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 2.51 · 2.51±0.10(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.