2,6-dichloro-7-methyl-7H-purine

HCID 75281CAS 2273-93-0

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Grundinformationen

Standard-SMILES: Cn1cnc2nc(Cl)nc(Cl)c21
InChIKey: HVMUWHZAZGTMJK-UHFFFAOYSA-N
Summenformel: C6H4Cl2N4
Durchschnittliche Molmasse: 203,03 g/mol
Monoisotopische Masse: 201,98130149

Namen und Bezeichner

Bevorzugter Name: 2,6-dichloro-7-methyl-7H-purine
IUPAC: 2,6-dichloro-7-methylpurine
Englischer Name: 2,6-Dichloro-7-methylpurine
Summenformel: C6H4Cl2N4
Molmasse: 203.03

Namen und Synonyme

2,6-Dichloro-7-methyl-7H-purineRefChem:445429869-281-22,6-Dichloro-7-methylpurine2273-93-02,6-dichloro-7-methyl-purine7H-Purine, 2,6-dichloro-7-methyl-MFCD00039690Purine, 2,6-dichloro-7-methyl-NSC 7853BRN 0174289MLS002638028

Weitere Namen anzeigen

1062822,6-dichloro-7-methyl-purin2,6-Dichloro-7-methyl-7h-purine ,98%2,6-DICHLORO-7-METHYLPURINE 97% (HPLC)7H-Purine,2,6-dichloro-7-methyl，97% min2,6-DICHLORO-7-METHYLPURINE (2,6DCl7MeP)

NSC78535-26-11-00258 (Beilstein Handbook Reference)Purine,6-dichloro-7-methyl-SCHEMBL183091CHEMBL1707176SCHEMBL29661424DTXSID401772657H-Purine,6-dichloro-7-methyl-

Datenbank-Bezeichner

CAS: 2273-93-0
PubChem CID: 75281
DTXSID: DTXSID40177265
ChEMBL: CHEMBL1707176
EC Number: 869-281-2
Nikkaji: J113.492B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 43,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 179

Physikochemische Eigenschaften

Schmelzpunkt: 195.5 · 195.5-196 °C
Siedepunkt: 307.2 · 307.2±52.0 °C(Predicted)
Dichte: 1.76 · 1.76±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.04 · -2.04±0.30(Predicted)
CAS Datenbank: 2273 · 2273-93-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.