CAS 42182-27-4 2-Aminoisonicotinonitrile (HCID 7015524)

Namen und Bezeichner

Bevorzugter Name: 2-Aminoisonicotinonitrile
IUPAC: 2-aminopyridine-4-carbonitrile
Englischer Name: 2-Amino-4-cyanopyridine
Summenformel: C6H5N3
Molmasse: 119.12

Namen und Synonyme

2-aminoisonicotinonitrileRefChem:465159677-660-72-Amino-4-cyanopyridine42182-27-42-aminopyridine-4-carbonitrileMFCD037913102-Amino-isonicotinonitrileFlucloxacillin Penilloic Acid4-cyano-2-aminopyridineZ2952033602-Amino-4-cyanopyridin

Weitere Namen anzeigen

2-Amino-4-cyanopyrid4-Cyano-2-pyridinamine5-AMINO-4-CYANOPYRIDINE2-Amino-4-cyanopyridine,97%2-Amino-4-pyridinecarbonitrile4-PYRIDINECARBONITRILE, 2-AMINO-2-Amino-4-cyanopyridine ISO 9001：2015 REACH

4-cyanopyridin-2-amine2-amino-4-cyano-pyridine2-Amino-4-Cyano PyridineSCHEMBL312451SCHEMBL907706SCHEMBL11549661SCHEMBL11549664SCHEMBL31294130

Datenbank-Bezeichner

CAS: 42182-27-4
PubChem CID: 7015524
DTXSID: DTXSID40426745
EC Number: 677-660-7
Nikkaji: J2.462.287H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
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: 146 · 146-148°C
Siedepunkt: 297.7 · 297.7±20.0 °C(Predicted)
Dichte: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.93 · 3.93±0.11(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
BRN: 386393 · 386393
InChI: InChI=1S/C6H5N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,(H2,8,9)
InChIKey: GEEAYLFEIFJFGP-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C#N)=C1
CAS Datenbank: 42182 · 42182-27-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301+H311+H331 (81.6%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (97.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (84.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (81.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (81.6%): 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 38 reports by companies from 6 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 (97.4%)；Acute Tox. 3 (97.4%)；Skin Irrit. 2 (84.2%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (81.6%)；STOT SE 3 (81.6%)

Sicherheitsdaten

ridadr: 3439
hs_code: 29333990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-39
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Amino-4-cyanopyridine is a pharmaceutical intermediate compound with two functional groups—an amino group and a cyano group—in its molecular structure, which are the primary factors contributing to its reactivity. It can also be used as a cyanide source for the preparation of organic light-emitting materials.

Verwenden2-Amino-4-cyanopyridine is a pyridine derivative as mGluR2 antagonists; used in the treatment of CNS disorders.