2-Chloro-6-methylpyridine-4-carbonitrile

HCID 21085439

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Grundinformationen

CAS: 25462-98-0
Standard-SMILES: Cc1cc(C#N)cc(Cl)n1
InChIKey: GAKJWOAMIXNCPN-UHFFFAOYSA-N
Summenformel: C7H5ClN2
Durchschnittliche Molmasse: 152,58 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methylpyridine-4-carbonitrile
IUPAC: 2-chloro-6-methylpyridine-4-carbonitrile
Englischer Name: 4-Pyridinecarbonitrile, 2-chloro-6-Methyl-
Summenformel: C7H5ClN2
Molmasse: 152.58

Namen und Synonyme

25462-98-02-chloro-6-methylpyridine-4-carbonitrileRefChem:469709851-357-12-chloro-6-methylisonicotinonitrile4-Pyridinecarbonitrile, 2-chloro-6-methyl-2-chloro-6-methyl-isonicotinonitrileMFCD166586102-Chloro-6-methyl-4-pyridinecarbonitrile2chloro6methylpyridine4carbonitrileSCHEMBL5836162chloro6methylpyridine4carbonitri

Weitere Namen anzeigen

GAKJWOAMIXNCPN-UHFFFAOYSA-NABA46298AKOS022904692SB21476AS-43567SY1003392-chloro-6-methyl-pyridine-4-carbonitrile2-Chloro-6-methylisonicotinonitrile, 97%

Datenbank-Bezeichner

CAS: 25462-98-0
PubChem CID: 21085439
EC Number: 851-357-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 238.7 · 238.7±35.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Storage temp. -20°C
pka: 0 · -0+-.0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.