6-chloro-9-(4-methoxyphenyl)purine

Modify Date: 2024-07-17 17:45:35

6-chloro-9-(4-methoxyphenyl)purine Structure
6-chloro-9-(4-methoxyphenyl)purine structure
 Common Name 6-chloro-9-(4-methoxyphenyl)purine
CAS Number 21313-95-1 Molecular Weight 260.67900
Density 1.44g/cm3 Boiling Point 448.2ºC at 760 mmHg
Molecular Formula C12H9ClN4O Melting Point N/A
MSDS N/A Flash Point 224.8ºC

 Names

Name 6-chloro-9-(4-methoxyphenyl)purine

 Chemical & Physical Properties

Density 1.44g/cm3
Boiling Point 448.2ºC at 760 mmHg
Molecular Formula C12H9ClN4O
Molecular Weight 260.67900
Flash Point 224.8ºC
Exact Mass 260.04600
PSA 52.83000
LogP 2.47750
Vapour Pressure 3.17E-08mmHg at 25°C
Index of Refraction 1.693

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7520300
CHEMICAL NAME :
Purine, 6-chloro-9-(p-methoxyphenyl)-
CAS REGISTRY NUMBER :
21313-95-1
BEILSTEIN REFERENCE NO. :
2986456
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-Cl-N4-O
MOLECULAR WEIGHT :
260.70
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ DR DO1& IG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04516

 Safety Information

HS Code 2933990090

 Synthetic Route

4-Methoxyphenylboronic acid structure

4-Methoxyphenyl...

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6-chloropurine structure

6-chloropurine

CAS#:87-42-3

~51%

6-chloro-9-(4-methoxyphenyl)purine Structure

6-chloro-9-(4-m...

CAS#:21313-95-1

Literature: Bakkestuen, Anne Kristin; Gundersen, Lise-Lotte Tetrahedron Letters, 2003 , vol. 44, # 16 p. 3359 - 3362
6H-Purin-6-one,1,9-dihydro-9-(4-methoxyphenyl)- structure

6H-Purin-6-one,...

CAS#:21314-04-5

~76%

6-chloro-9-(4-methoxyphenyl)purine Structure

6-chloro-9-(4-m...

CAS#:21313-95-1

Literature: El-Bayouki, Khairy A. M.; El-Sayed, Ali S.; Basyouni, Whaid M. Gazzetta Chimica Italiana, 1989 , vol. 119, # 3 p. 163 - 166
5-amino-1-(4-methoxyphenyl)imidazole-4-carboxamide structure

5-amino-1-(4-me...

CAS#:93270-70-3

~%

6-chloro-9-(4-methoxyphenyl)purine Structure

6-chloro-9-(4-m...

CAS#:21313-95-1

Literature: El-Bayouki, Khairy A. M.; El-Sayed, Ali S.; Basyouni, Whaid M. Gazzetta Chimica Italiana, 1989 , vol. 119, # 3 p. 163 - 166

 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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