2,6-Dichloro-3-nitropyridin-4-amine

HCID 282740CAS 2897-43-0

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Grundinformationen

Standard-SMILES: Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
Summenformel: C5H3Cl2N3O2
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,9602317

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-3-nitropyridin-4-amine
IUPAC: 2,6-dichloro-3-nitropyridin-4-amine
Englischer Name: 2,6-Dichloro-3-nitro-4-aminopyridine
Summenformel: C5H3Cl2N3O2
Molmasse: 208

Namen und Synonyme

2,6-dichloro-3-nitropyridin-4-amineDTXSID60300391RefChem:445383DTXCID10251526867-667-52897-43-04-AMINO-2,6-DICHLORO-3-NITROPYRIDINE2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE4-Pyridinamine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridin-4-ylamineMFCD032657542,6-Dichloro-3-nitro-pyridin-4-amine

Weitere Namen anzeigen

(2,6-dichloro-3-nitro-4-pyridyl)amineNSC 136572PYRIDINE DERIVATIVE2897-43-06-DICHLORO-3-NITRO-4-AMINOPYRIDINE5-Amino-2,6-dichloro-3-nitropyridine

2,6-dichloro-3-nitro-4-pyridinamine2,6-Dichloro-4-amino-5-nitropyridine2,6-dichloro-4-amino-3-nitropyridineNSC1365722,6-dichloro-3-nitropyridin-4-ylamineSCHEMBL260778orb1908108SCHEMBL29462393

Datenbank-Bezeichner

CAS: 2897-43-0
PubChem CID: 282740
DTXSID: DTXSID60300391
EC Number: 867-667-5
Nikkaji: J3.311.549K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 84,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-150°C
Siedepunkt: 426.6 · 426.6±40.0 °C(Predicted)
Dichte: 1.723 · 1.723
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: soluble in Chloroform, Methanol
pka: -3.65 · -3.65±0.50(Predicted)
Aggregatzustand: powder
Farbe: Light yellow to light beige
InChI: InChI=1S/C5H3Cl2N3O2/c6-3-1-2(8)4(10(11)12)5(7)9-3/h1H,(H2,8,9)
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(N)=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE is a synthetic compound that inhibits tyrosine kinases. It is an isomer of 2,6-Dichloropyridine and has been shown to inhibit the growth of lymphoma cells in vitro. 2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE has three substitutions on the pyridine ring as compared to 2,6-Dichloropyridine. The substitutions are thought to be responsible for the increased hydrophilic properties of this compound. This may lead to increased cellular uptake and better bioavailability.