1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

Modify Date: 2024-02-08 19:50:07

1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl- Structure
1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl- structure
 Common Name 1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-
CAS Number 5434-62-8 Molecular Weight 305.72000
Density 1.521g/cm3 Boiling Point 537.7ºC at 760 mmHg
Molecular Formula C13H12ClN5O2 Melting Point N/A
MSDS N/A Flash Point 279ºC

 Names

Name 8-(4-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

 Chemical & Physical Properties

Density 1.521g/cm3
Boiling Point 537.7ºC at 760 mmHg
Molecular Formula C13H12ClN5O2
Molecular Weight 305.72000
Flash Point 279ºC
Exact Mass 305.06800
PSA 84.71000
LogP 1.43030
Index of Refraction 1.697

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5066000
CHEMICAL NAME :
Theophylline, 8-(p-chloroanilino)-
CAS REGISTRY NUMBER :
5434-62-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-Cl-N5-O2
MOLECULAR WEIGHT :
305.75
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CMR DG& F1 H1

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 :
56 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#04370

 Safety Information

HS Code 2933990090

 Synthetic Route

6-Amino-1,3-dimethyluracil structure

6-Amino-1,3-dim...

CAS#:6642-31-5

~%

1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl- Structure

1H-Purine-2,6-d...

CAS#:5434-62-8

Literature: Kokel Journal of Heterocyclic Chemistry, 1994 , vol. 31, # 5 p. 1185 - 1192
chloride of 1,3-dimethyl-4-amino-5-(chloromethine-N,N-dimethyliminium)uracil structure

chloride of 1,3...

CAS#:77012-46-5

~%

1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl- Structure

1H-Purine-2,6-d...

CAS#:5434-62-8

Literature: Kokel Journal of Heterocyclic Chemistry, 1994 , vol. 31, # 5 p. 1185 - 1192

 Precursor & DownStream

Precursor  2

DownStream  0

 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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Chemsrc provides CAS#:5434-62-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl->> amp version: 1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

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