2,4,6-Trichloro-5-nitropyrimidine

HCID 4297843CAS 4359-87-9

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1c(Cl)nc(Cl)nc1Cl
InChIKey: QGFWFWSBFMRDNP-UHFFFAOYSA-N
Summenformel: C4Cl3N3O2
Durchschnittliche Molmasse: 228,42 g/mol
Monoisotopische Masse: 226,905609

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Trichloro-5-nitropyrimidine
IUPAC: 2,4,6-trichloro-5-nitropyrimidine
Englischer Name: 2,4,6-Trichloro-5-nitropyrimidine
Summenformel: C4Cl3N3O2
Molmasse: 228.42

Namen und Synonyme

2,4,6-trichloro-5-nitropyrimidine4359-87-9DTXSID30401687RefChem:1059625DTXCID103525422,4,6-trichloro-5-nitro-pyrimidineC4Cl3N3O2MFCD00091516PYRIMIDINE, 2,4,6-TRICHLORO-5-NITRO-5-NITRO-2,4,6-TRICHLOROPYRIMIDINESCHEMBL6285502,4,6-trichloronitropyrimidine

Weitere Namen anzeigen

2,4,6-TRICHLORO-5-NITROPYRIMDINE2,4,6-Trichloro-5-nitropyrimidine ,90%2,4,6-trichloro-5-nitro-pyriMidine 85+%2,4,6-Trichloro-5-nitro-pyrimidine, 95+%2,4,6-Trichloro-5-nitropyrimidine, tech.2,4,6-Trichloro-5-nitropyrimidine≥ 97% (HPLC)

QGFWFWSBFMRDNP-UHFFFAOYSA-N2,4,6-trichloro-5-nitro pyrimidineAKOS000279197AB03282CS-W002360GS-6099FT154562SY012518

Datenbank-Bezeichner

CAS: 4359-87-9
PubChem CID: 4297843
DTXSID: DTXSID30401687
EC Number: 809-386-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58℃
Siedepunkt: 314 ℃ · 314℃
Dichte: 1.848 · 1.848
Flammpunkt: 143 ℃ · 143℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: solid
pka: -10.32 · -10.32±0.39(Predicted)
Farbe: white
InChI: InChI=1S/C4Cl3N3O2/c5-2-1(10(11)12)3(6)9-4(7)8-2
InChIKey: QGFWFWSBFMRDNP-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.