3,5-Dichloropyridine-4-carbonitrile

HCID 11137599

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Grundinformationen

CAS: 153463-65-1
Standard-SMILES: N#Cc1c(Cl)cncc1Cl
InChIKey: MUHBRCUFWMUBNP-UHFFFAOYSA-N
Summenformel: C6H2Cl2N2
Durchschnittliche Molmasse: 173 g/mol
Monoisotopische Masse: 171,95950342

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichloropyridine-4-carbonitrile
IUPAC: 3,5-dichloropyridine-4-carbonitrile
Englischer Name: 3,5-Dichloro-4-pyridinecarbonitrile
Summenformel: C6H2Cl2N2
Molmasse: 173

Namen und Synonyme

3,5-dichloropyridine-4-carbonitrileRefChem:486775627-189-8153463-65-13,5-Dichloroisonicotinonitrile3,5-Dichloro-4-pyridinecarbonitrile4-Cyano-3,5-dichloropyridineMFCD001046513,5-Dichloro-isonicotinonitrile4-Pyridinecarbonitrile, 3,5-dichloro-SCHEMBL193133DTXSID80456526

Weitere Namen anzeigen

3,5-Dichloro-4-pyridinecarbonitrile 97+%3,5-DICHLORO-4-PYRIDINECARBONITRILE ISO 9001：2015 REACH

AC-24548DS-11526AM62379FT-0657117MUHBRCUFWMUBNP-UHFFFAOYSA-NAKOS015836100CS-W009172SB33847

Datenbank-Bezeichner

CAS: 153463-65-1
PubChem CID: 11137599
DTXSID: DTXSID80456526
EC Number: 627-189-8
Nikkaji: J641.345E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-119 °C (lit.)
Siedepunkt: 266.2 · 266.2±35.0 °C(Predicted)
Dichte: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: -0.84 · -0.84±0.10(Predicted)
InChI: 1S/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey: MUHBRCUFWMUBNP-UHFFFAOYSA-N
SMILES: Clc1cncc(Cl)c1C#N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933399990
risk_code: 22-37/38-41-43
hazard_code: Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
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. 2Skin Sens. 1STOT SE 3