3-Chloropyridine-4-carbonitrile

HCID 10678306

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Grundinformationen

CAS: 68325-15-5
Standard-SMILES: N#Cc1ccncc1Cl
InChIKey: JLLJPPBGJVCFGG-UHFFFAOYSA-N
Summenformel: C6H3ClN2
Durchschnittliche Molmasse: 138,55 g/mol
Monoisotopische Masse: 137,99847578

Namen und Bezeichner

Bevorzugter Name: 3-Chloropyridine-4-carbonitrile
IUPAC: 3-chloropyridine-4-carbonitrile
Englischer Name: 3-Chloro-4-cyanopyridine
Summenformel: C6H3ClN2
Molmasse: 138.55

Namen und Synonyme

3-chloropyridine-4-carbonitrileRefChem:500535640-747-53-Chloro-4-cyanopyridine68325-15-53-chloroisonicotinonitrileMFCD05663706SCHEMBL190868GEO-03482AKOS005199115CS-W003228AB21895

Weitere Namen anzeigen

3-Chloro-4-cyanopyri3-chloro-4-cynopyridine3- chloro-4-cyanpyridine3-Chloro-4-cyanopyridine ,98%3-Chloropyridin-4-carbonitrile

SY0075463-Chloro-isonicotinonitrile3-CHLORO-4-PYRIDINECARBONITRILE4-PYRIDINECARBONITRILE, 3-CHLORO-BCP342523-chloro-4-pyridine car2,3-Butanediol,1,4-dimercapto-, (2R,3S)-rel-SCHEMBL29529965

Datenbank-Bezeichner

CAS: 68325-15-5
PubChem CID: 10678306
DTXSID: DTXSID40443311
EC Number: 640-747-5
Nikkaji: J2.121.240G

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-73°C
Siedepunkt: 233.3 · 233.3±20.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Dichloromethane, Ethyl Acetate, Methanol
Aggregatzustand: Solid
pka: -0.41 · -0.41±0.18(Predicted)
Farbe: Pale Yellow
InChI: InChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKey: JLLJPPBGJVCFGG-UHFFFAOYSA-N
SMILES: C1=NC=CC(C#N)=C1Cl
CAS Datenbank: 68325 · 68325-15-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (63.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (63.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN3439
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37
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 Irrit. 2Skin Irrit. 2STOT SE 3