CAS No.69-89-6,2,6-Dihydroxypurine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	69-89-6
Name:	2,6-Dihydroxypurine
Article Data:	123

Formula:	C₅H₄N₄O₂
Molecular Weight:	152.112
Synonyms:	1H-Purine-2,6-dione,3,7-dihydro-;1H-Purine-2, 6-diol;9H-Purine-2,6-(1H,3H)-dione;3,7-dihydropurine-2,6-dione;Isoxanthine;USAF CB-17;2,6-Dioxo-1,2,3,6-tetrahydropurine;Xanthic oxide;1H-Purine-2,6-diol;2,6(1,3)-Purinedion;XAN;Purine-2,6(1H,3H)-dione;3,5-dihydropurine-2,6-dione;3,7-dihydro-1H-purine-2,6-dione;Pseudoxanthine;Purine-2,6-diol;1H-Purine-2,6-dione, 3,7-dihydro-;Purine-2(3H),6(1H)-dione;Xanthin;1-H-purine-2,6-dione, 3,7-dihydro(9CI);2,6-Dihydroxypurine;
EINECS:	200-718-6
Density:	1.94 g/cm³
Melting Point:	300 °C
Boiling Point:	834.9 °C at 760 mmHg
Flash Point:	458.7 °C
Solubility:	NH₄OH: freely soluble
Appearance:	White to off-white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36-43
Safety:	36/37
PSA:	94.40000
LogP:	-1.06050

Synthetic route

: 73-40-5
guanine

: 69-89-6
xanthin

Conditions

Conditions	Yield
With perchloric acid at 110 - 130℃; for 0.25h;	69%
enzymatische Bildung;
With nitric acid

: 290-87-9
1,3,5-Triazine

: 3240-72-0
5,6-diaminouracil

: 69-89-6
xanthin

: 4919-06-6
5-ureido-4-imidazole carboxylate

: 69-89-6
xanthin

Conditions

Conditions	Yield
With hydrogenchloride

: 83-39-6
1H-imidazole-4,5-dicarboxamide

: 69-89-6
xanthin

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite

: 5442-24-0
6-amino-5-nitrosouracil

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 69-89-6
xanthin

Conditions

Conditions	Yield
With sodium metabisulfite; formic acid at 180℃;
With sodium metabisulfite; formic acid at 180℃;

: 69-93-2
uric Acid

: 627-45-2
N-formylethylamine

: 69-89-6
xanthin

: 69-93-2
uric Acid

: 544-17-2
calcium diformate

: 69-89-6
xanthin

Conditions

Conditions	Yield
With calcium hydroxide; water Erhitzen bis zur beginnenden Gasentwicklung;

: 69-93-2
uric Acid

: 144-62-7
oxalic acid

: 56-81-5
glycerol

A: 645-93-2
ammelide

B: 69-89-6
xanthin

Conditions

Conditions	Yield
at 200℃;

...Expand

: 69-93-2
uric Acid

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

A: 68-94-0
1,7-dihydro-6H-purin-6-one

B: 69-89-6
xanthin

Conditions

Conditions	Yield
With water at 180 - 200℃;

...Expand

: 69-93-2
uric Acid

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 69-89-6
xanthin

Raw Materials

7647-01-0

290-87-9

120-73-0

5435-16-5

4919-06-6

10034-85-2

64-18-6

69-93-2

Downstream Products

68-94-0

97-59-6

16347-32-3

5451-40-1

64-18-6

74-90-8

69-89-6

83-67-0

Total:184 Page 1 of 5 1 2 3 4 5 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

Xanthine, with the CAS Number 69-89-6, is a yellowish-white, crystalline purine base. Xanthine is a purine base found in most human body tissues and fluids and in other organisms. Xanthine is a product on the pathway of purine degradation. It is created from guanine by guanine deaminase; from hypoxanthine by xanthine oxidoreductase or from xanthosine by purine nucleoside phosphorylase(PNP).

Physical properties about Xanthine are: (1)ACD/LogP: -0.13; (2)ACD/LogD (pH 5.5): -3.63; (3)ACD/LogD (pH 7.4): -3.63; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)Index of Refraction: 1.903; (11)Molar Refractivity: 36.566 cm³; (12)Molar Volume: 78.403 cm³; (13)Polarizability: 14.496 10-24cm³; (14)Surface Tension: 170.186996459961 dyne/cm; (15)Density: 1.94 g/cm³; (16)Flash Point: 458.72 °C; (17)Enthalpy of Vaporization: 125.498 kJ/mol; (18)Boiling Point: 834.882 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11);
(2)InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N;
(3)Smilesc12c(c([nH]c([nH]1)=O)=O)[nH]cn2

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	oral	> 3333mg/kg (3333mg/kg)		French Medicament Patent Document. Vol. #2698M,
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD277-689,