3-Chloropyridin-4-amine

HCID 581853CAS 19798-77-7

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Grundinformationen

Standard-SMILES: Nc1ccncc1Cl
InChIKey: KJBKPRMEMJKXDV-UHFFFAOYSA-N
Summenformel: C5H5ClN2
Durchschnittliche Molmasse: 128,56 g/mol
Monoisotopische Masse: 128,01412584

Namen und Bezeichner

Bevorzugter Name: 3-Chloropyridin-4-amine
IUPAC: 3-chloropyridin-4-amine
Englischer Name: 4-Amino-3-chloropyridine
Summenformel: C5H5ClN2
Molmasse: 128.56

Namen und Synonyme

3-chloropyridin-4-amineRefChem:500530672-566-24-Amino-3-chloropyridine19798-77-73-Chloro-pyridin-4-ylamine4-Pyridinamine, 3-chloro-3-Chloro-4-aminopyridineMFCD039844733-Chloro-4-pyridinamine4-amino-3-chloro-pyridine3-Chloropyrid-4-ylamine

Weitere Namen anzeigen

SA0322124-Amino-3-chLIFLAB-BB F2124-04255-Chloro-4-pyridinamine

3-chloro-4-pyridinylamine3-chloranylpyridin-4-amineSCHEMBL322241MLS001033537Pyridine, 4-amino-3-chloro-cid_5818534-amino-3-chloropyridine, AldrichCPRSMR000363940

Datenbank-Bezeichner

CAS: 19798-77-7
PubChem CID: 581853
DTXSID: DTXSID50342442
ChEMBL: CHEMBL1579845
UNII: M5MT8C9JP7
EC Number: 672-566-2
Nikkaji: J31.386F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,8

Experimentelle und physikochemische Eigenschaften

Solubility16.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46°C
Siedepunkt: 250.9 · 250.9±20.0 °C(Predicted)
Dichte: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 7.14 · 7.14±0.12(Predicted)
Farbe: Light Yellow
InChI: 1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey: KJBKPRMEMJKXDV-UHFFFAOYSA-N
SMILES: Nc1ccncc1Cl
CAS Datenbank: 19798 · 19798-77-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (12.5%): 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, P305+P354+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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden4-Amino-3-chloropyridine is a chlorinated heteroarylamine. 4-Amino-3-chloropyridine is used in the preparation of inhibitor of phosphodiesterase type 4 (PDE4) as antiasthmatic agents as well as other pyridine based pharmaceutical agents