3-Aminopyridine-4-carbonitrile

HCID 10678219

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Grundinformationen

CAS: 78790-79-1
Standard-SMILES: N#Cc1ccncc1N
InChIKey: PEZNQSQPDQLHPN-UHFFFAOYSA-N
Summenformel: C6H5N3
Durchschnittliche Molmasse: 119,12 g/mol
Monoisotopische Masse: 119,04834717

Namen und Bezeichner

Bevorzugter Name: 3-Aminopyridine-4-carbonitrile
IUPAC: 3-aminopyridine-4-carbonitrile
Englischer Name: 3-AMINO-4-CYANOPYRIDINE
Summenformel: C6H5N3
Molmasse: 119.12

Namen und Synonyme

3-aminopyridine-4-carbonitrileRefChem:497795677-662-83-Amino-4-cyanopyridine78790-79-13-aminoisonicotinonitrile3-Amino-isonicotinonitrileMFCD040355964-PYRIDINECARBONITRILE, 3-AMINO-3-AMINO-4-PYRIDINECARBONITRILE3-amino4-cyanopyridine3-aminopyridine4-carbonitrile

Weitere Namen anzeigen

3-Amino-4-cynanopyridine3-Amino-4-cyanopyridine,97%3-AMino-4-cyanopyridine, 95+%3-Aminoisonicotinonitrile 96%4-Pyridinecarbonitrile,3-amino-(9CI)

SCHEMBL166316SCHEMBL3213255SCHEMBL30166533DTXSID90443301PEZNQSQPDQLHPN-UHFFFAOYSA-NCS-D0761CL0126SBB051880

Datenbank-Bezeichner

CAS: 78790-79-1
PubChem CID: 10678219
DTXSID: DTXSID90443301
EC Number: 677-662-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 62,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 134

Physikochemische Eigenschaften

Schmelzpunkt: 135 · 135-138℃
Siedepunkt: 332.9 · 332.9±27.0 °C(Predicted)
Dichte: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.81 · 2.81±0.18(Predicted)
CAS Datenbank: 78790 · 78790-79-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (71.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (71.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (14.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (71.4%)；Acute Tox. 3 (71.4%)；Skin Irrit. 2 (42.9%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (14.3%)；STOT SE 3 (42.9%)