CAS No.1461-67-2,5-IODO-6-METHYLURACIL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1461-67-2
Name:	5-IODO-6-METHYLURACIL
Article Data:	11

Formula:	C₅H₅IN₂O₂
Molecular Weight:	252.011
Synonyms:	Uracil,5-iodo-6-methyl- (6CI,7CI,8CI);5-Iodo-6-methyluracil;NSC 266138;
Density:	2.17 g/cm³
Melting Point:	280 °C (dec.)(lit.)
Hazard Symbols:	Xn
Risk Codes:	40-42/43
Safety:	22-26-36
PSA:	65.72000
LogP:	-0.02380

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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-iodo-6-methyl- is an organic compound with the formula C₅H₅IN₂O₂. The IUPAC name of this chemical is 5-iodo-6-methyl-1H-pyrimidine-2,4-dione. With the CAS registry number 1461-67-2, it is also named as 5-Iodo-6-methyluracil. Additionally, this chemical should be kept away from direct sunshine and stored in the well-ventilated and dry place at normal temperature.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 1.55; (7)ACD/KOC (pH 5.5): 59.17; (8)ACD/KOC (pH 7.4): 43.69; (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: 1.666; (14)Molar Refractivity: 43.06 cm³; (15)Molar Volume: 115.8 cm³; (16)Polarizability: 17.07×10^-24 cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Tautomer Count: 17; (19)Exact Mass: 251.93957; (20)MonoIsotopic Mass: 251.93957; (21)Topological Polar Surface Area: 58.2; (22)Heavy Atom Count: 10; (23)Complexity: 234.

Uses of 2,4(1H,3H)-Pyrimidinedione,5-iodo-6-methyl-: It can react with ethynyl-trimethyl-silane to get 2-hydroxy-6-methyl-5-trimethylsilanylethynyl-1H-pyrimidin-4-one. This reaction which is a kind of Sonogashira coupling needs reagents PdCl₂(PPh₃)₂, Et₃N, CuI and solvent dimethylformamide at temperature of 40 °C. The reaction time is 5 min. The yield is 50%.

2,4(1H,3H)-Pyrimidinedione,5-iodo-6-methyl- can react with ethynyl-trimethyl-silane to get 2-hydroxy-6-methyl-5-trimethylsilanylethynyl-1H-pyrimidin-4-one

When you are using this chemical, please be cautious about it as the following:
It has limited evidence of a carcinogenic effect. And it may cause sensitization by inhalation and skin contact. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:IC=1C(=O)NC(=O)NC=1C
2. InChI:InChI=1/C5H5IN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
3. InChIKey:SYWCZCQBZPXNIV-UHFFFAOYAE