CAS No.26305-13-5,5,6-DIMETHYLURACIL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26305-13-5
Name:	5,6-DIMETHYLURACIL
Article Data:	20

Formula:	C₆H₈N₂O₂
Molecular Weight:	140.142
Synonyms:	Uracil,5,6-dimethyl- (7CI,8CI);2,4-Dihydroxy-5,6-dimethylpyrimidine;5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione;5,6-Dimethyluracil;6-Methylthymine;NSC 163903;NSC 49017;
EINECS:	247-601-6
Density:	1.16 g/cm³
Melting Point:	297-300 °C (dec.)(lit.)
Boiling Point:	408.8 °C at 760 mmHg
Flash Point:	24/25
Solubility:	almost transparency in hot Water
Appearance:	white to almost white crystalline powder
Safety:	24/25
PSA:	65.72000
LogP:	-0.32000

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Specification

This chemical is called 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-, and its systematic name is 5,6-dimethylpyrimidine-2,4(1H,3H)-dione. With the molecular formula of C₆H₈N₂O₂, its molecular weight is 140.14. The CAS registry number of this chemical is 26305-13-5. Additionally, its classification code is Drug / Therapeutic Agent. It should be sealed in the cool and dry plcace, away from oxides. If you use this chemical, please avoid contacting with skin and eyes.

Other characteristics of the 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 43.08; (8)ACD/KOC (pH 7.4): 42.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 34.41 cm³; (15)Molar Volume: 120.7 cm³; (16)Polarizability: 13.64×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 201 °C; (20)Enthalpy of Vaporization: 68.66 kJ/mol; (21)Boiling Point: 408.8 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-07 mmHg at 25°C.

Production method of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- could be obtained by the reactant of 2,4-bis-methanesulfonyl-5,6-dimethyl-pyrimidine. This reaction needs the reagent of 10 percent aq. NaOH. The yield is 86 %. In addition, this reaction should be taken for 1 hour. The other condition is heating.

Uses of this chemical: The 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- could react with iodomethane, and obtain the 1,3,5,6-tetramethyl-1H-pyrimidine-2,4-dione. This reaction needs the reagent of K₂CO₃, and the solvent of acetone. The yield is 65 %. In addition, this reaction should be taken for 50 hours at the ambient temperature.

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	140mg/kg (140mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 490, 1958.