2-Chloro-4-cyanopyridine

HCID 568638CAS 33252-30-1

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Grundinformationen

Standard-SMILES: N#Cc1ccnc(Cl)c1
InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N
Summenformel: C6H3ClN2
Durchschnittliche Molmasse: 138,55 g/mol
Monoisotopische Masse: 137,99847578

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-cyanopyridine
IUPAC: 2-chloropyridine-4-carbonitrile
Englischer Name: 2-Chloro-4-cyanopyridine
Summenformel: C6H3ClN2
Molmasse: 138.55

Namen und Synonyme

2-Chloro-4-cyanopyridine33252-30-12-Chloroisonicotinonitrile2-Chloropyridine-4-carbonitrile2-Chloro-4-pyridinecarbonitrile4-Pyridinecarbonitrile, 2-chloro-Isonicotinonitrile, 2-chloro-DTXSID00340938Pyridine, 2-chloro-, 4-cyano-RefChem:86230DTXCID50292019608-852-0

Weitere Namen anzeigen

2-4 - cyanopyridine chloride -2-CHLORO-4-CYANOPYRIDINE 2-CHLORO-ISONICOTINONITRILE2-Chloro-4-pyridinecarbonitrile,2-Chloro-4-cyanopyridineCompound Fr13742BUTTPARK 43\57-012-Chloro-4-cyanopyri6-Chloro-4-cyanopyridine

QRXBTPFMCTXCRD-UHFFFAOYSA-N2-Chloro-isonicotinonitrile4-Cyano-2-chloropyridineMFCD00174318U2S8C7U4ER2-chloro-4-cyano pyridine4-cyano-2-chloropyridinUNII-U2S8C7U4ER

Datenbank-Bezeichner

CAS: 33252-30-1
PubChem CID: 568638
DTXSID: DTXSID00340938
UNII: U2S8C7U4ER
EC Number: 608-852-0
Nikkaji: J1.584.180J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 69 · 69-73 °C(lit.)
Siedepunkt: 104 · 104-106°C 15mm
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
Flammpunkt: 104 · 104-106°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.6 · -1.60±0.10(Predicted)
Farbe: White to Almost white
BRN: 113927 · 113927
InChI: InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C#N)=C1
CAS Datenbank: 33252 · 33252-30-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-36/37/39-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4-cyanopyridine is an intermediate used to prepare pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). It is also used to synthesize pyridinyl-tetrazoles as scaffold to identify matrix MMP-13 inhibitors for treatment of osteoarthritis.