Basic information
- Name:
2,4-Imidazolidinedione,1-methyl-
- CAS No.:
616-04-6
- Molecular Structure:
- Formula:
- C4H6N2O2
- Molecular Weight:
- 114.1
- Synonyms:
- Hydantoin,1-methyl- (6CI,7CI,8CI);1-Methylhydantoin;1-Methylimidazolidine-2,4-dione;Dioxy-creatinine;NSC 80560;
- EINECS:
- 210-460-6
- Density:
- 1.284 g/cm3
- Melting Point:
- 156-157 °C(lit. )
- Appearance:
- white fine crystalline powder
- Hazard Symbols:
Xi- Safety Description:
- 24/25 Details
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Specification
The 2, 4-Imidazolidinedione, 1-methyl-, with the CAS registry number of 616-04-6, is also known as 1-Methylhydantoin and 1-Methyl-2, 4-imidazolidinedione. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Imidazolines/Imidazolidines. Its EINECS registry number is 210-460-6. This chemical's molecular formula is C4H6N2O2 and molecular weight is 114.1. What's more, its IUPAC name is 1-Methylimidazolidine-2, 4-dione. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 2, 4-Imidazolidinedione, 1-methyl- are: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.84; (8)ACD/KOC (pH 7.4): 3.8; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 25.71 cm3; (15)Molar Volume: 88.7 cm3; (16)Polarizability: 10.19×10-24 cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.284 g/cm3; (19)Melting Point: 156-157 °C(lit. ).
Preparation: this chemical is prepared by (1-Methyl-ureido)-acetic acid ethyl ester. The reaction needs reagent Sodium methoxide and solvent Methanol. The yield is about 85 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 5-Benzylidene-1-methyl-imidazolidine-2, 4-dione. This reaction needs reagents Pyridine and Diethylamine. Other condition of this reaction is reaction time of 50 hours at 150 °C. The yield is about 21 %.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NC(=O)N(C)C1
(2) InChI: InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
(3) InChIKey: RHYBFKMFHLPQPH-UHFFFAOYAD
