Purine, 6-((m-chlorobenzyl)thio)-

Modify Date: 2025-11-12 12:42:15

Purine, 6-((m-chlorobenzyl)thio)- Structure
Purine, 6-((m-chlorobenzyl)thio)- structure
 Common Name Purine, 6-((m-chlorobenzyl)thio)-
CAS Number 5069-69-2 Molecular Weight 276.74500
Density 1.51g/cm3 Boiling Point 426.8ºC at 760 mmHg
Molecular Formula C12H9ClN4S Melting Point N/A
MSDS N/A Flash Point 211.9ºC

 Names

Name 6-[(3-chlorophenyl)methylsulfanyl]-7H-purine

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 426.8ºC at 760 mmHg
Molecular Formula C12H9ClN4S
Molecular Weight 276.74500
Flash Point 211.9ºC
Exact Mass 276.02400
PSA 79.76000
LogP 3.29860
Index of Refraction 1.753
InChIKey KFAOWRCIGSQBSV-UHFFFAOYSA-N
SMILES Clc1cccc(CSc2ncnc3nc[nH]c23)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7520100
CHEMICAL NAME :
Purine, 6-((m-chlorobenzyl)thio)-
CAS REGISTRY NUMBER :
5069-69-2
LAST UPDATED :
198502
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-Cl-N4-S
MOLECULAR WEIGHT :
276.76

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
167 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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