4-Amino-2-chloro-6-methyl-5-nitropyrimidine

HCID 227459CAS 5453-06-5

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Grundinformationen

Standard-SMILES: Cc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIKey: ZBYYVBFAHVINCE-UHFFFAOYSA-N
Summenformel: C5H5ClN4O2
Durchschnittliche Molmasse: 188,57 g/mol
Monoisotopische Masse: 188,0101031

Namen und Bezeichner

Bevorzugter Name: 4-Amino-2-chloro-6-methyl-5-nitropyrimidine
IUPAC: 2-chloro-6-methyl-5-nitropyrimidin-4-amine
Englischer Name: 4-AMINO-2-CHLORO-6-METHYL-5-NITROPYRIMIDINE
Summenformel: C5H5ClN4O2
Molmasse: 188.57

Namen und Synonyme

4-Amino-2-chloro-6-methyl-5-nitropyrimidineDTXSID50280911RefChem:517614DTXCID40232065668-874-15453-06-52-chloro-6-methyl-5-nitropyrimidin-4-amineMFCD000231984-Pyrimidinamine, 2-chloro-6-methyl-5-nitro-NSC190542-chloro-6-methyl-5-nitro-pyrimidin-4-ylamineSCHEMBL166184

Weitere Namen anzeigen

NSC 19054IFLAB-BB F2124-01794-Amino-5-nitro-6-methyl-2-chloropyrimidine2-chloro-6-methyl-5-nitro-pyrimidin-4-amine(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)amine

ZBYYVBFAHVINCE-UHFFFAOYSA-NNSC-19054AKOS000320476SB55611AS-66471DB-0525992-Chloro-6-methyl-5-nitro-4-pyrimidinamineCS-0107358

Datenbank-Bezeichner

CAS: 5453-06-5
PubChem CID: 227459
DTXSID: DTXSID50280911
EC Number: 668-874-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 97,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-170°C
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Yellow to Orange
Stabilität: Toxic
CAS Datenbank: 5453 · 5453-06-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.4%): 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 39 reports by companies from 2 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.