6-Chlorpyridin-2-carbonitril

6-Chloropyridine-2-carbonitrile

HCID 118424CAS 33252-29-8

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Grundinformationen

Standard-SMILES: N#Cc1cccc(Cl)n1
InChIKey: PGZHSVWXFKKCNR-UHFFFAOYSA-N
Summenformel: C6H3ClN2
Durchschnittliche Molmasse: 138,55 g/mol
Monoisotopische Masse: 137,99847578

Namen und Bezeichner

Bevorzugter Name: 6-Chloropyridine-2-carbonitrile
IUPAC: 6-chloropyridine-2-carbonitrile
Lokaler Name: 6-Chlorpyridin-2-carbonitril
Englischer Name: 2-Chloro-6-cyanopyridine
Summenformel: C6H3ClN2
Molmasse: 138.55

Namen und Synonyme

2-Chloro-6-cyanopyridine6-Chloropicolinonitrile6-Chloropyridine-2-carbonitrile2-Pyridinecarbonitrile, 6-chloro-6-Chloro-2-pyridinecarbonitrileZS4YVY14OFEINECS 251-429-7UNII-ZS4YVY14OFDTXSID40186897Pyridine, 2-carbonitrile-6-chloro-Pyridine-2-carbonitrile, 6-chloro-2-CHLOROPYRIDINE-6-CARBONITRILE

Weitere Namen anzeigen

2-Cyano-6-chloropyridineoro-6-Cyanopyridine2-Cyno-6-chloropyridine2-Chloro-6-pyridinenitrileP-1002-Chloro-6-Cyanopyridine6-Chloropyridin-2-carbonitrile

RefChem:104454DTXCID80109388251-429-7PGZHSVWXFKKCNR-UHFFFAOYSA-N33252-29-86-Chloro-2-cyanopyridineMFCD002745276-Chloro-pyridine-2-carbonitrile

Datenbank-Bezeichner

CAS: 33252-29-8
PubChem CID: 118424
DTXSID: DTXSID40186897
UNII: ZS4YVY14OF
EC Number: 251-429-7
Nikkaji: J319.515E

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: 9
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 85 · 85-89 °C
Siedepunkt: 245.3 · 245.3±20.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: -5.77 · -5.77±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C6H3ClN2/c7-6-3-1-2-5(4-8)9-6/h1-3H
InChIKey: PGZHSVWXFKKCNR-UHFFFAOYSA-N
SMILES: C1(C#N)=NC(Cl)=CC=C1
CAS Datenbank: 33252 · 33252-29-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (91.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (91.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,T,Xi
safety_code: 26-36/37/39-37
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 Dam. 1Skin Irrit. 2STOT SE 3