7-Methylxanthine

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Names

[ CAS No. ]:
552-62-5

[ Name ]:
7-Methylxanthine

[Synonym ]:
7-Methyl-3,7-dihydro-1H-purine-2,6-dione
7-Methylxanthine
EINECS 209-019-0
MFCD00037979
7-methyl-3H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Melting Point ]:
300ºC

[ Molecular Formula ]:
C6H6N4O2

[ Molecular Weight ]:
166.137

[ Exact Mass ]:
166.049072

[ PSA ]:
83.54000

[ LogP ]:
-0.89

[ Index of Refraction ]:
1.827

[ Water Solubility ]:
Soluble in dimethyl sulfoxide. Insoluble in water.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD8925000
CHEMICAL NAME :
Xanthine, 7-methyl-
CAS REGISTRY NUMBER :
552-62-5
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N4-O2
MOLECULAR WEIGHT :
166.16
WISWESSER LINE NOTATION :
T56 BN DN FMVMVJ B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900

Safety Information

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
26/27/28

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
ZD8925000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-benzyl-7-methylpurine-2,6-dione
  • 2,6-dibenzylthio-7-methylpurine
  • 6-Amino-1-benzyl-5-methylaminouracil
  • 2,6-Dichloro-7-methylpurine
  • 6-Chloro-7-methyl-7H-purine
  • 6-methoxy-7-methyl-purine
  • 6-methoxy-7-methylpurine 3-oxide
  • 7-methyl-2-hydroxy-6-methoxypurine

DownStream

  • Ammonia
  • methylamine
  • Urea
  • pyrimidine-2,4,5,6(1H,3H)-tetraone
  • 1-Methylurea
  • 7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione
  • 7-methyl-3H-purine-2,6-dithione
  • Sarcosine
  • 2,6-Dichloro-7-methylpurine

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%

Related Compounds

  • 3-benzyl-7-methylxanthine
  • 3-Acetoxy-7-methylxanthine
  • 1,3-Diethyl-7-methylxanthine
  • 1,3-DIETHYL-7-METHYLXANTHINE
  • 1,3-Dipropyl-7-methylxanthine
  • 1,3-Dipropyl-7-methylxanthine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 1-[(1,4-Dioxan-2-yl)methyl]cyclobutane-1-carbaldehyde
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 3-(2,5-Dimethylfuran-3-yl)-3-fluoropropan-1-amine
  • tert-Butyl-DL-alanine