6-Chlorpurin
6-Chloropurine
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Grundinformationen
- CAS
133762-83-1- Standard-SMILES
Clc1ncnc2nc[nH]c12- InChIKey
ZKBQDFAWXLTYKS-UHFFFAOYSA-N- Summenformel
- C5H3ClN4
- Durchschnittliche Molmasse
- 154,56 g/mol
- Monoisotopische Masse
- 154,00462378
Überblick
6-Chloro-1H-purine is a member of purines.
Namen und Bezeichner
- Bevorzugter Name
- 6-Chloropurine
- IUPAC
- 6-chloro-7H-purine
- Lokaler Name
- 6-Chlorpurin
- Englischer Name
- 6-Chloropurine
- Summenformel
- C5H3ClN4
- Molmasse
- 154.56
Namen und Synonyme
6-CHLOROPURINE87-42-36-Chloro-9H-purineSK 6048NSC-744OH8700156WDTXSID00861673RefChem:541955DTXCID50207764201-745-66-chloro-7H-purine6-Chloro-1H-purine
Weitere Namen anzeigen
ClP6-chloro-5H-purine6-chloro-purinx47X 47HSD26
1H-Purine, 6-chloro-Purine, 6-chloro-6-Chlorpurine6-CP6-Chloropurin-9-yl6-chloropurinMFCD00075825111055-92-6
Datenbank-Bezeichner
- CAS
133762-83-1、87-42-3- PubChem CID
- 5359277
- DTXSID
DTXSID00861673- ChEMBL
CHEMBL140037- ChEBI
CHEBI:177625- UNII
- OH8700156W
- EC Number
- 201-745-6
- Nikkaji
- J3.900D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 54,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 131
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Purines
Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (dec.) (lit.)
- Siedepunkt
- 254.17 °C · 254.17°C (rough estimate)
- Dichte
- 1.4649 · 1.4649 (rough estimate)
- Brechungsindex
- 1.843 · 1.8430 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 5 g/L · 5 g/L
- Aggregatzustand
- crystalline
- pka
- 7.47 · 7.47±0.20(Predicted)
- Farbe
- yellow-orange
- Biologische Quelle
- mouse
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information1H-Purine, 6-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryHarmful by ingestion; Targets the liver; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- hs_code
- 29335990
- RTECS-Nr.
- UO7520000
- risk_code
- 22-36/37/38-20/21/22
- Toxizität
- LD50 oral in mouse: 720mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Verwendung und Herstellung
UsesMetabolized to form 6-mercaptopurine. [ChemIDplus] Has been used as an antineoplastic; [REPROTOX]
Anwendungen
Verwenden6-Chloropurine is used in the preparation of 9-alkylpurines through alkylation with various substituted alkyl halides in dimethyl sulfoxide. It is also used to prepare 6-succinoaminopurine.
Darstellung
synthetische6-chloropurine is synthesized by reacting hypoxanthine with phosphoryl chloride in the presence of an unreactive base such as dimethyl aniline. It may likewise be formed by heating hypoxanthine under pressure with phosphoryl chloride as well as with a reagent prepared by adding water, preferably about by volume, to dry phosphoryl chloride.US2832781A
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