2-Chloro-4-nitropyridine

HCID 735152CAS 23056-36-2

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccnc(Cl)c1
InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N
Summenformel: C5H3ClN2O2
Durchschnittliche Molmasse: 158,54 g/mol
Monoisotopische Masse: 157,98830502

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-nitropyridine
IUPAC: 2-chloro-4-nitropyridine
Englischer Name: 2-Chloro-4-nitropyridine
Summenformel: C5H3ClN2O2
Molmasse: 158.54

Namen und Synonyme

2-Chloro-4-nitropyridine23056-36-2DTXSID50352743RefChem:86269DTXCID20303808627-980-8Pyridine, 2-chloro-4-nitro-2-chloro-4-nitro-pyridineMFCD006614542-chloro-4nitropyridine2chloro-4-nitropyridineSCHEMBL190411

Weitere Namen anzeigen

4-Nitro-2-chloropyridine2-ChlAURORA 23245AKOS BBS-000013582-Chloro-4-nitropyriOTAVA-BB BB70175200532-chloro-4-nitropyrine2-Choro-4-nitropyridineoro-4-nitropyridine, 98%

AKOS000320214C2283AJ-333/25006257BCP263672-chloro-4-(nitro)pyridineorb2940321SCHEMBL4927400SCHEMBL4927715

Datenbank-Bezeichner

CAS: 23056-36-2
PubChem CID: 735152
DTXSID: DTXSID50352743
EC Number: 627-980-8
Nikkaji: J1.710.515I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-56 °C (lit.)
Siedepunkt: 258.4 · 258.4±20.0 °C(Predicted)
Dichte: 1.489 · 1.489±0.06 g/cm3(Predicted)
Flammpunkt: 223 °F · 223 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -1.93 · -1.93±0.10(Predicted)
Aggregatzustand: crystalline powder
Farbe: Yellow
BRN: 120418 · 120418
InChI: InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC([N+]([O-])=O)=C1
CAS Datenbank: 23056 · 23056-36-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4-nitropyridine is used in the preparation of (thio)barbituric acid derivatives in the treatment of obesity related non-alcoholic fatty liver disease. As well it is used in the production of selective and potent MET Kinase inhibitors.