Pyridin-2,3-diyldiamin

2,3-Diaminopyridine

HCID 9956CAS 452-58-4

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Grundinformationen

Standard-SMILES: Nc1cccnc1N
InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N
Summenformel: C5H7N3
Durchschnittliche Molmasse: 109,13 g/mol
Monoisotopische Masse: 109,06399722

Überblick

2,3-Diaminopyridine is an aminopyridine.

Namen und Bezeichner

Bevorzugter Name: 2,3-Diaminopyridine
IUPAC: pyridine-2,3-diamine
Lokaler Name: Pyridin-2,3-diyldiamin
Englischer Name: 2,3-Diaminopyridine
Summenformel: C5H7N3
Molmasse: 109.13

Namen und Synonyme

2,3-Diaminopyridine452-58-42,3-PyridinediaminePyridine, 2,3-diamino-DTXSID0051493CBX394737HNSC-45406DTXCID9030676RefChem:81548207-200-9pyridine-2,3-diamineMFCD00006319

Weitere Namen anzeigen

3-DiaMinopyridine2,3-diamino-pyridinTIMTEC-BB SBB004339Pyridin-2,3-diaMine2,3-Diaminopyridine99%2,3-Diaminopyridine,98%

Pyridine-2,3-diyldiamine2,3-diamino-pyridineEINECS 207-200-9NSC 45406BRN 0109869UNII-CBX394737H2,3-Pyridinediamine; N2-Benzyl-2,3-pyridinediamine; NSC 45406AI3-52327

Datenbank-Bezeichner

CAS: 452-58-4
PubChem CID: 9956
DTXSID: DTXSID0051493
ChEBI: CHEBI:195591
UNII: CBX394737H
EC Number: 207-200-9
Nikkaji: J79.620D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 64,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,1

Experimentelle und physikochemische Eigenschaften

Collision Cross Section118.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0051493]

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-115 °C (lit.)
Siedepunkt: 195 °C · 195°C 55mm
Dichte: 1.1118 · 1.1118 (rough estimate)
Brechungsindex: 1.534 · 1.5340 (estimate)
Flammpunkt: 205 °C · 205 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 2 O: · H2O: soluble50mg/mL, opaque (brown to very dark brown)
Aggregatzustand: Solid
pka: 6.78 · 6.78±0.36(Predicted)
Farbe: Very Dark Brown
Wasserlöslichkeit: 100 g/L · 100 g/L (20 ºC)
BRN: 109869 · 109869
InChI: 1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N
SMILES: Nc1cccnc1N
CAS Datenbank: 452 · 452-58-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,3-Pyridinediamine(452-58-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (15.2%)

Sicherheitsdaten

F: 9
wgk: 3
ridadr: UN 2811
hs_code: 29333999
RTECS-Nr.: US7548000
risk_code: 22-36/37/38-25
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36/37-45-37/39-28A-36
hazard_class: 6.1
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Diaminopyridine was used in the synthesis of 2,3-diaminopyridinium-4-hydroxybenzoate1. It was used as internal standard in analysis of poly(amidoamine)dendrimers having different terminal functionalities by capillary electrophoresis. It was used as reagent in synthesis of imidazopyridines and organometallic complexes.