4,6-Dichlor-2-methyl-5-nitropyrimidin

4,6-Dichloro-2-methyl-5-nitropyrimidine

HCID 83192CAS 13162-43-1

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Grundinformationen

Standard-SMILES: Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1
InChIKey: OPXGPTXSLFZVCA-UHFFFAOYSA-N
Summenformel: C5H3Cl2N3O2
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,9602317

Namen und Bezeichner

Bevorzugter Name: 4,6-Dichloro-2-methyl-5-nitropyrimidine
IUPAC: 4,6-dichloro-2-methyl-5-nitropyrimidine
Lokaler Name: 4,6-Dichlor-2-methyl-5-nitropyrimidin
Englischer Name: 4,6-Dichloro-2-methyl-5-nitropyrimidine
Summenformel: C5H3Cl2N3O2
Molmasse: 208

Namen und Synonyme

4,6-Dichloro-2-methyl-5-nitropyrimidinePyrimidine, 4,6-dichloro-2-methyl-5-nitro-EINECS 236-105-5DTXSID4065367RefChem:96622DTXCID1034056236-105-5OPXGPTXSLFZVCA-UHFFFAOYSA-N13162-43-1MFCD000605274,6-Dichloro-2-methyl-5-nitro-pyrimidine2-methyl-4,6-dichloro-5-nitropyrimidine

Weitere Namen anzeigen

2-Methyl-5-nitro-4,6-dichloro-pyriMidine4,6-Dichloro-2-methyl-5-nitropyrimidine ISO 9001：2015 REACH4,6-Dichloro-2-methyl-5-nitropyrimidine4,6-Dichloro-2-methyl-5-nitropyrimidinev

SCHEMBL1123974AKOS002662681CS-W000839GS-5777SB60475AC-23042SY0213802-methyl-4,6-dichloro-5-nitro-pyrimidine

Datenbank-Bezeichner

CAS: 13162-43-1
PubChem CID: 83192
DTXSID: DTXSID4065367
EC Number: 236-105-5
Nikkaji: J317.843I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Siedepunkt: 310.4 · 310.4±37.0 °C(Predicted)
Dichte: 1.626 · 1.626±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -7.02 · -7.02±0.39(Predicted)
InChI: InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
InChIKey: OPXGPTXSLFZVCA-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1
EPA chemische Informationen: 4 · Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- (13162-43-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.