1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-

Modify Date: 2024-01-11 16:51:13

1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl- Structure
1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl- structure
Common Name 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-
CAS Number 4921-49-7 Molecular Weight 228.63600
Density 1.6g/cm3 Boiling Point 425.4ºC at 760mmHg
Molecular Formula C8H9ClN4O2 Melting Point 190-192ºC
MSDS N/A Flash Point 211.1ºC

 Names

Name 8-chloro-1,3,7-trimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6g/cm3
Boiling Point 425.4ºC at 760mmHg
Melting Point 190-192ºC
Molecular Formula C8H9ClN4O2
Molecular Weight 228.63600
Flash Point 211.1ºC
Exact Mass 228.04100
PSA 61.82000
Index of Refraction 1.696

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6494000
CHEMICAL NAME :
Caffeine, 8-chloro-
CAS REGISTRY NUMBER :
4921-49-7
BEILSTEIN REFERENCE NO. :
0232628
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H9-Cl-N4-O2
MOLECULAR WEIGHT :
228.66
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 CG F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
4 mmol/L
REFERENCE :
HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 75,277,1973

 Synthetic Route

 Synonyms

8-Chlor-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,8-dione
EINECS 225-552-1
8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-Chloro Caffeine
8-chloro-1,3,7-trimethylxanthine
CAFFEINE,8-CHLORO
1,3,7-Trimethyl-2,6-dioxo-8-chloro.1H,3H,7H-xanthine
8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
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