2,6-Dichlor-1H-purin

2,6-Dichloropurine

HCID 5324412CAS 5451-40-1

Grundinformationen

Standard-SMILES
Clc1nc(Cl)c2[nH]cnc2n1
InChIKey
RMFWVOLULURGJI-UHFFFAOYSA-N
Summenformel
C5H2Cl2N4
Durchschnittliche Molmasse
189 g/mol
Monoisotopische Masse
187,9656515

Namen und Bezeichner

Bevorzugter Name
2,6-Dichloropurine
IUPAC
2,6-dichloro-7H-purine
Lokaler Name
2,6-Dichlor-1H-purin
Englischer Name
2,6-Dichloropurine
Summenformel
C5H2Cl2N4
Molmasse
189

Namen und Synonyme

2,6-Dichloropurine5451-40-1DTXSID60202922RefChem:445475DTXCID90125413226-681-62,6-dichloro-9H-purine2,6-dichloro-7H-purine2,6-Dichloro-1H-purineMFCD000777259H-purine, 2,6-dichloro-1H-Purine, 2,6-dichloro-
Weitere Namen anzeigen
Cefepime IntermediateNSC 18395Dichloropurine6-Dichloropurine2,6-Dichloropurine>2,6-Dichloropurine.97%
2,6 dichloropurine2,6-bis(chloranyl)-7H-purinePurine, 2,6-dichloro-AI3-51950NSC-18395GS-3174KS-1014D2470

Datenbank-Bezeichner

CAS
5451-40-1
PubChem CID
5324412
DTXSID
DTXSID60202922
ChEMBL
CHEMBL1256006
UNII
W6WK3TS9AP
EC Number
226-681-6
Nikkaji
J81.036C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
54,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
185 · 185-195 °C (dec.) (lit.)
Siedepunkt
310.62 °C · 310.62°C (rough estimate)
Dichte
1.7265 · 1.7265 (rough estimate)
Brechungsindex
1.63 · 1.6300 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
soluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.7% (1 of 146) of reports.

Danger

H301 (71.2%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (26.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (24%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (26.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 146 reports by companies.;There are 8 notifications provided by 145 of 146 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Regulatory Information1H-Purine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (71.2%);Skin Irrit. 2 (26.7%);Skin Sens. 1 (24%);Eye Irrit. 2A (26.7%)

Regulatorische Informationen

Regulatory Information1H-Purine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
ridadr
UN2811
hs_code
29349990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
22-24/25-37/39-26-36

Chemie und Industrie

Anwendungen

Beschreibung2,6-Dichloropurine is an important pharmaceutical intermediate. It is widely used in the preparation of purine nucleosides and purine nucleotides[1].

Verwenden2,6-Dichloropurine is used in the synthesis of 2,6-diamino-substituted purine derivatives as potential cardiomyogenesis inducing agents.

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