Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate

HCID 2761044CAS 54368-61-5

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Grundinformationen

Standard-SMILES: CCOC(=O)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: CXMOEGSGXAUCNZ-UHFFFAOYSA-N
Summenformel: C7H5Cl2N3O4
Durchschnittliche Molmasse: 266,04 g/mol
Monoisotopische Masse: 264,965711

Namen und Bezeichner

Bevorzugter Name: Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
IUPAC: ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
Englischer Name: ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE
Summenformel: C7H5Cl2N3O4
Molmasse: 266.04

Namen und Synonyme

ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate54368-61-5DTXSID20375500RefChem:342269DTXCID30326528674-377-0MFCD008316382,6-dichloro-5-nitropyrimidine-4-carboxylic acid ethyl esterC7H5Cl2N3O4Ethyl2,6-dichloro-5-nitropyrimidine-4-carboxylate2,6-Dichloro-4-(ethoxycarbonyl)-5-nitropyrimidineethyl 2,6-dichloro-5-nitro-pyrimidine-4-carboxylate

Weitere Namen anzeigen

ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE ISO 9001：2015 REACH

SCHEMBL58060CXMOEGSGXAUCNZ-UHFFFAOYSA-N4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-nitro-, ethyl esterAKOS005264367AC-5238CS-W006419GS-5664SB60545

Datenbank-Bezeichner

CAS: 54368-61-5
PubChem CID: 2761044
DTXSID: DTXSID20375500
EC Number: 674-377-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 97,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-38°C
Siedepunkt: 391.4 · 391.4±37.0 °C(Predicted)
Dichte: 1.602 · 1.602
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: -9.02 · -9.02±0.39(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2933599590
hazard_code: Xi

Chemie und Industrie

Anwendungen

VerwendenEthyl 2,6-Dichloro-5-nitropyrimidine-4-carboxylate is a useful chemical compound for preparation of pyrimidinediamines as IgE and/or IgG receptor modulators.