9H-Purin-6-amine, 9-(4-nitrophenyl)-

Modify Date: 2025-08-30 19:06:32

9H-Purin-6-amine, 9-(4-nitrophenyl)- Structure
9H-Purin-6-amine, 9-(4-nitrophenyl)- structure
 Common Name 9H-Purin-6-amine, 9-(4-nitrophenyl)-
CAS Number 21314-05-6 Molecular Weight 256.22000
Density 1.69g/cm3 Boiling Point 545.7ºC at 760 mmHg
Molecular Formula C11H8N6O2 Melting Point N/A
MSDS N/A Flash Point 283.8ºC

 Names

Name 9-(4-nitrophenyl)purin-6-amine

 Chemical & Physical Properties

Density 1.69g/cm3
Boiling Point 545.7ºC at 760 mmHg
Molecular Formula C11H8N6O2
Molecular Weight 256.22000
Flash Point 283.8ºC
Exact Mass 256.07100
PSA 115.44000
LogP 2.41030
Vapour Pressure 5.79E-12mmHg at 25°C
Index of Refraction 1.827
InChIKey CUQVCKJPCJQAMP-UHFFFAOYSA-N
SMILES Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7443600
CHEMICAL NAME :
9H-Purin-6-amine, 9-(4-nitrophenyl)-
CAS REGISTRY NUMBER :
21314-05-6
BEILSTEIN REFERENCE NO. :
2996626
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H8-N6-O2
MOLECULAR WEIGHT :
256.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
10 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 263,93,1991

 Safety Information

HS Code 2933990090

 Synthetic Route

1-Fluoro-4-nitrobenzene structure

1-Fluoro-4-nitr...

CAS#:350-46-9

6H-Purin-6-imine, 1,7-dihydro- (9CI) structure

6H-Purin-6-imin...

CAS#:66224-66-6

~82%

9H-Purin-6-amine, 9-(4-nitrophenyl)- Structure

9H-Purin-6-amin...

CAS#:21314-05-6

Literature: CHUGAI SEIYAKU KABUSHIKI KAISHA Patent: EP1724258 A1, 2006 ; Location in patent: Page/Page column 141 ;

 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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