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Lumazine

  • Name Lumazine
  • EINECS207-652-7
  • CAS No. 487-21-8
  • Density1.523 g/cm3
  • PSA91.50000
  • LogP-0.99360
  • Solubility0.125 g/100 mL (25 ºC)
  • Melting Point300 °C
  • FormulaC6H4N4O2
  • Boiling Point551.1oC at 760 mmHg
  • Molecular Weight164.123
  • Flash Point287.1oC
  • Transport InformationN/A
  • AppearanceLIGHT YELLOW TO OCHRE POWDER
  • Safety22-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 487-21-8 (Lumazine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data23

Lumazine Specification

The Lumazine, with CAS registry number 487-21-8, belongs to the following product category of Heterocycles. It has the systematic name of Pteridine-2,4(1H,3H)-dione. Its other registry number is 27899-40-7. When ues this chemical, please do not breathe dust and avoid contact with skin and eyes. This chemical is light yellow to ochre powder. The product should be sealed and stored in cool and dry place.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.098; (5)ACD/KOC (pH 7.4): 15.467; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 83.98 Å2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 36.955 cm3; (12)Molar Volume: 107.771 cm3; (13)Surface Tension: 68.816 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cnc2c(n1)c(=O)[nH]c(=O)[nH]2
(2)InChI: InChI=1/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
(3)InChIKey: UYEUUXMDVNYCAM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
(5)Std. InChIKey: UYEUUXMDVNYCAM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 400mg/kg (400mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 100, 1968

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