CAS 5975-12-2 2,4-Dichloro-3-nitropyridine (HCID 10535773)

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-3-nitropyridine
IUPAC: 2,4-dichloro-3-nitropyridine
Englischer Name: 2,4-Dichloro-3-nitropyridine
Summenformel: C5H2Cl2N2O2
Molmasse: 192.99

Namen und Synonyme

2,4-Dichloro-3-nitropyridine5975-12-2DTXSID50441383RefChem:246208DTXCID50392205688-499-72,4-dichloro-3-nitro-pyridineMFCD09261088PYRIDINE, 2,4-DICHLORO-3-NITRO-2.4-dichloro-3-nitropyridinePB25128AC-22842

Weitere Namen anzeigen

0/2/754-dichloro-3-nitro-4-Dichloro-3-nitropyridine2,4-dichloronitro pyridine2,4-Dichloro-3-nitropyridine-22,4-Dichloro-3-nitropyridine 98%2,4-Dichloro-3-nitropyridine ISO 9001：2015 REACH

SY014839FT-0649164SCHEMBL2029272,4-Dichloro-3-nitropyridine;SCHEMBL29467174CS-B01032,4-Dichloro-3-nitropyridine, AldBBL100953

Datenbank-Bezeichner

CAS: 5975-12-2
PubChem CID: 10535773
DTXSID: DTXSID50441383
EC Number: 688-499-7
Nikkaji: J2.915.162H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 61.5 · 61.5-62 °C
Siedepunkt: 285.7 · 285.7±35.0 °C(Predicted)
Dichte: 1.629 · 1.629±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: powder to crystal
pka: -2.49 · -2.49±0.10(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
InChIKey: RTXYIHGMYDJHEU-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(Cl)=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.3% (2 of 46) of reports.

Warning

H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 46 reports by companies.；There are 7 notifications provided by 44 of 46 reports by companies with hazard statement code(s).；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

Regulatory InformationStatus: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32695

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.5%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32695

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2,4-Dichloro-3-nitropyridine is a halogenated pyridinium salt that has been shown to inhibit the influenza virus in vitro. This compound is also reactive with nucleophilic groups such as amines, alcohols, and thiols. 2,4-Dichloro-3-nitropyridine has been used for the synthesis of quinoline derivatives that have potential applications in autoimmune diseases or cancer. 2,4-Dichloro-3-nitropyridine has also been found to be an inhibitor of tumor necrosis factor alpha (TNFα) production by LPS stimulated human monocytes.

Verwenden2,4-Dichloro-3-nitropyridine is a reactant in the discovery of Imigliptin, a novel selective dipeptidyl peptidase IV (DPP-4) inhibitor used in the treatment of type 2 diabetes.