2-Cyano-4-methylpyridine

HCID 88739CAS 1620-76-4

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Grundinformationen

Standard-SMILES: Cc1ccnc(C#N)c1
InChIKey: LQAWSWUFSHYCHP-UHFFFAOYSA-N
Summenformel: C7H6N2
Durchschnittliche Molmasse: 118,14 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-Cyano-4-methylpyridine
IUPAC: 4-methylpyridine-2-carbonitrile
Englischer Name: 2-Cyano-4-methylpyridine
Summenformel: C7H6N2
Molmasse: 118.14

Namen und Synonyme

2-Cyano-4-methylpyridine4-Methyl-2-pyridinecarbonitrileRefChem:470647627-197-11620-76-44-methylpicolinonitrile4-methylpyridine-2-carbonitrile2-PYRIDINECARBONITRILE, 4-METHYL-MFCD001288682-CYANO-4-PICOLINE2-Cyano 4-methylpyridine2-cyano-4-methyl pyridine

Weitere Namen anzeigen

2-Cyano-4-methylpyridine >2-Cyano-4-methylpyridine ,98%4-Methylpyridin-2-carbonitrile4-Methylpyridine-2-carbonitrile 97%

SCHEMBL91455SCHEMBL131627orb3023782SCHEMBL2999285SCHEMBL4756833SCHEMBL30078627LQAWSWUFSHYCHP-UHFFFAOYSA-4-methyl-pyridine-2-carbonitrile

Datenbank-Bezeichner

CAS: 1620-76-4、20970-75-6
PubChem CID: 88739
EC Number: 627-197-1
Nikkaji: J2.172.467J

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: 83 · 83-87 °C
Siedepunkt: 145 · 145-148°C 38mm
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
Flammpunkt: 145 · 145-148°C/38mm
storage temp.: Inert atmosphere,Room Temperature
pka: 0.35 · 0.35±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Gray to Brown
Wasserlöslichkeit: Slightly soluble in water.
BRN: 110753 · 110753
InChI: InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3
InChIKey: LQAWSWUFSHYCHP-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(C)=C1
CAS Datenbank: 1620 · 1620-76-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 20/21/22-41-37/38-22-36/37/38
hazard_code: Xi
safety_code: 22-36/37-39-26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3