2-Chlor-4-nitropyridin-1-oxid

2-Chloro-4-nitropyridine 1-oxide

HCID 84433CAS 14432-16-7

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey: YSTCMHHKDOVZDA-UHFFFAOYSA-N
Summenformel: C5H3ClN2O3
Durchschnittliche Molmasse: 174,54 g/mol
Monoisotopische Masse: 173,9832197

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-nitropyridine 1-oxide
IUPAC: 2-chloro-4-nitro-1-oxidopyridin-1-ium
Lokaler Name: 2-Chlor-4-nitropyridin-1-oxid
Englischer Name: 2-Chloro-4-nitropyridine 1-oxide
Summenformel: C5H3ClN2O3
Molmasse: 174.54

Namen und Synonyme

2-Chloro-4-nitropyridine 1-oxideDTXSID80162675EINECS 238-404-6RefChem:469088DTXCID5085166NSC 527701238-404-614432-16-72-Chloro-4-nitropyridine-N-oxide2-Chloro-4-nitropyridine N-oxide2-chloro-4-nitro-1-oxidopyridin-1-iumPyridine, 2-chloro-4-nitro-, 1-oxide

Weitere Namen anzeigen

AURORA 23245AKOS BBS-00001358OTAVA-BB BB70175200532-Chloro-4-nitropyridi2-Chlor-4-nitropyridin-1-oxid4-Chloro-3-nitropyridine-N-oxide2-Chloro-4-nitropyridineN-Oxide>2-Chloro-4-nitropyridine N-oxide 95%

MFCD009556172-CHLORO-4-NITROPYRIDIN-1-IUM-1-OLATENSC-5277012-chloro-4-nitropyridin-1-ol2-Chloro-4-nitropyridine1-oxideJE5ASN4WNESCHEMBL345760SCHEMBL31536932

Datenbank-Bezeichner

CAS: 14432-16-7
PubChem CID: 84433
DTXSID: DTXSID80162675
UNII: JE5ASN4WNE
EC Number: 238-404-6
Nikkaji: J217.012D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 71,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 151 · 151-155 °C (lit.)
Siedepunkt: 405.9 · 405.9±25.0 °C(Predicted)
Dichte: 1.62 · 1.62±0.1 g/cm3(Predicted)
Flammpunkt: 223 °F · 223 °F
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
pka: -2.53 · -2.53±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
BRN: 145697 · 145697
InChI: 1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChIKey: YSTCMHHKDOVZDA-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc[n+]([O-])c(Cl)c1
CAS Datenbank: 14432 · 14432-16-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (91.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)；Acute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (91.1%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 26-36-45-36/37/39-28
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-4-nitropyridine 1-oxide serves as a reagent for nucleophilic substitution with amines in ethanol under microwave irradiation at 100 °C to form pyridine N-oxides[1].