6-Chloro-4-iodopyridine-3-carbonitrile

HCID 57516912

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Grundinformationen

CAS: 1061357-83-2
Standard-SMILES: N#Cc1cnc(Cl)cc1I
InChIKey: TVHRQDVVPKXZOZ-UHFFFAOYSA-N
Summenformel: C6H2ClIN2
Durchschnittliche Molmasse: 264,45 g/mol
Monoisotopische Masse: 263,89512

Namen und Bezeichner

Bevorzugter Name: 6-Chloro-4-iodopyridine-3-carbonitrile
IUPAC: 6-chloro-4-iodopyridine-3-carbonitrile
Englischer Name: 6-chloro-4-iodopyridine-3-carbonitrile
Summenformel: C6H2ClIN2
Molmasse: 264.45

Namen und Synonyme

1061357-83-26-CHLORO-4-IODOPYRIDINE-3-CARBONITRILEDTXSID60726991RefChem:307974DTXCID40677735855-960-06-Chloro-4-iodonicotinonitrile6-chloro-4-iodo-3-pyridinecarbonitrile2-CHLORO-5-CYANO-4-IODOPYRIDINEMFCD166581256-chloro-4-iodo-nicotinonitrileSCHEMBL691563

Weitere Namen anzeigen

3-Pyridinecarbonitrile, 6-chloro-4-iodo-

AKOS016002852CS-W018368PB194606-chloro-4-iodo-pyridine-3-carbonitrileAS-51100SY099903DB-059451P11914

Datenbank-Bezeichner

CAS: 1061357-83-2
PubChem CID: 57516912
DTXSID: DTXSID60726991
EC Number: 855-960-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 329.3 · 329.3±42.0 °C(Predicted)
Dichte: 2.13 · 2.13±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -3.73 · -3.73±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.