2-Amino-5-cyanopyridine

HCID 818260CAS 4214-73-7

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Grundinformationen

Standard-SMILES: N#Cc1ccc(N)nc1
InChIKey: KDVBYUUGYXUXNL-UHFFFAOYSA-N
Summenformel: C6H5N3
Durchschnittliche Molmasse: 119,12 g/mol
Monoisotopische Masse: 119,04834716

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-cyanopyridine
IUPAC: 6-aminopyridine-3-carbonitrile
Englischer Name: 2-Amino-5-cyanopyridine
Summenformel: C6H5N3
Molmasse: 119.12

Namen und Synonyme

2-Amino-5-cyanopyridine4214-73-7DTXSID90355930RefChem:85266DTXCID10306989629-267-76-aminopyridine-3-carbonitrile6-Aminonicotinonitrile6-Amino-3-pyridinecarbonitrile6-amino-nicotinonitrileMFCD001289022-amino-5-cyano-pyridine

Weitere Namen anzeigen

TIMTEC-BB SBB0042935-Cyano-2-pyridinamine6-Nitrile-nicotinaMide6-Amino-3-Cyano Pyridine6-Aminonicotinonitrile 97%2-Amino-5-cyanopyridine,98%2-Amino-5-cyanopyridine >2-Amino-5-cyanopyridine ,97%

SCHEMBL8988445AF-399/409630746-Amino-3-pyridinecarbonitrile, 97%BP-13086EN300-49194Z2952033626-amino-3-cyanopyridineAM20051170

Datenbank-Bezeichner

CAS: 4214-73-7
PubChem CID: 818260
DTXSID: DTXSID90355930
EC Number: 629-267-7
Nikkaji: J1.884.459A

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: 159 · 159-163 °C(lit.)
Siedepunkt: 240 · 240-250°C 15mm
Dichte: 1.23 · 1.23±0.1 g/cm3(Predicted)
Flammpunkt: 240 · 240-250°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 3.48 · 3.48±0.13(Predicted)
Farbe: Brown
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 113876 · 113876
InChI: InChI=1S/C6H5N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,(H2,8,9)
InChIKey: KDVBYUUGYXUXNL-UHFFFAOYSA-N
SMILES: C1=NC(N)=CC=C1C#N
CAS Datenbank: 4214 · 4214-73-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (96.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 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 (96.2%)

Sicherheitsdaten

F: 10-23
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36-26
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 OralAcute Tox. 4 DermalAcute Tox. 4 Inhalation

Chemie und Industrie

Anwendungen

Verwenden2-Amino-5-cyanopyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.