Hydantoin
- Iupac Name:imidazolidine-2,4-dione
- CAS No.: 461-72-3
- Molecular Weight:100.07606
- Modify Date.: 2022-11-29 12:19
- Introduction: Reactant for synthesis of: N-benzyl aplysinopsin analogs as anticancer agents1 D-glutamic acid based inhibitors2 Antidiabetic chromonyl-2,4-thiazolidinediones3 GSK-3β inhibitors with brain permeability4 Thiazolidinedione derivatives as 15-PGDH inhibitors5 Radio-sensitizing agents6 Hydantoin Preparation Products And Raw materials Raw materials
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1. Names and Identifiers
- 1.1 Name
- Hydantoin
- 1.2 Synonyms
2,4-(3H,5H)-IMIDAZOLEDIONE 2,4-diketo-imidazolidine 2,4-dioxoimidazolidine 2,4-imidazolidindione 2,4-IMIDAZOLIDINEDIONE 2,4-IMIDAZOLINEDIONE 2-hydroxy-2-imidazolin-4(or5)-on 4H-Imidazole-2,5-diol Dantochlor EINECS 207-313-3 GLYCOLYLUREA Imidazolidine-2,4-dione imidazolidinyl-2,4-dione MFCD00005259
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- 1.3 CAS No.
- 461-72-3
- 1.4 CID
- 10006
- 1.5 EINECS(EC#)
- 207-313-3
- 1.6 Molecular Formula
- C3H4N2O2 (isomer)
- 1.7 Inchi
- InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
- 1.8 InChIkey
- WJRBRSLFGCUECM-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1C(=O)NC(=O)N1
- 1.10 Isomers Smiles
- C1C(=O)NC(=O)N1
2. Properties
- 2.1 Density
- 1.356
- 2.1 Melting point
- 218-223℃
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Refractive index
- 1.702
- 2.1 Flash Point
- °Cat760mmHg
- 2.1 Precise Quality
- 100.02700
- 2.1 PSA
- 58.20000
- 2.1 logP
- -0.51660
- 2.1 Solubility
- SLIGHTLY SOLUBLE
- 2.2 Appearance
- white crystalline powder
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- White Solid
- 2.5 Color/Form
- White to light yellow
- 2.6 pKa
- pKa 9.1 (Uncertain)
- 2.7 Water Solubility
- H2O: SLIGHTLY soluble
- 2.8 Stability
- Stable under normal temperatures and pressures.
- 2.9 StorageTemp
- Store below +30°C.
3. Use and Manufacturing
- 3.1 Usage
- Reactant for synthesis of: N-benzyl aplysinopsin analogs as anticancer agents1 D-glutamic acid based inhibitors2 Antidiabetic chromonyl-2,4-thiazolidinediones3 GSK-3β inhibitors with brain permeability4 Thiazolidinedione derivatives as 15-PGDH inhibitors5 Radio-sensitizing agents6 Hydantoin Preparation Products And Raw materials Raw materials
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S24/25
- 4.1 RIDADR
- 25kgs
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- MT8210000
- 4.1 Report
-
Reported in EPA TSCA Inventory.
- 4.2 Safety
-
An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
Safety information of Hydantoin (461-72-3):
Hazard Codes?
Xi
Risk Statements? 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements? 24/25-36/37/39-27-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S27: Take off immediately all contaminated clothing
S24/25: Avoid contact with skin and eyes
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany? 3
RTECS? MT8210000
HS Code? 29332100
- 4.3 Specification
-
White Solid
usageEng:Reactant for synthesis of: N-benzyl aplysinopsin analogs as anticancer agents1 D-glutamic acid based inhibitors2 Antidiabetic chromonyl-2,4-thiazolidinediones3 GSK-3β inhibitors with brain permeability4 Thiazolidinedione derivatives as 15-PGDH inhibitors5 Radio-sensitizing agents6
Safety Statements:24/25-36/37/39-27-26
24/25:Avoid contact with skin and eyes
36/37/39:Wear suitable protective clothing, gloves and eye/face
protection
27:Take off immediately all contaminated clothing
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
Pictogram(s) | No symbol. |
Signal word | No signal word. |
Hazard statement(s) | none |
Precautionary statement(s) | |
Prevention | none |
Response | none |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
461-72-3Total: 66 Synthesis Route
9. Other Information
- 9.0 Merck
- 14,4760
- 9.1 BRN
- 110598
- 9.2 Chemical Properties
- White Solid
- 9.3 Uses
- Reactant for synthesis of: N-benzyl aplysinopsin analogs as anticancer agents1 D-glutamic acid based inhibitors2 Antidiabetic chromonyl-2,4-thiazolidinediones3 GSK-3β inhibitors with brain permeability4 Thiazolidinedione derivatives as 15-PGDH inhibitors5 Radio-sensitizing agents6
- 9.4 Uses
-
The product has been used as a substrate (at 40 °C and pH 9.0) to determine the D-hydantoinase activity in adzuki bean extract.
- 9.5 Mesh Entry Terms
- Hydantoin
- 9.6 Manufacturing Info
- 2,4-Imidazolidinedione: ACTIVE
10. Computational chemical data
- Molecular Weight: 100.07606g/mol
- Molecular Formula: C3H4N2O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 100.027277375
- Monoisotopic Mass: 100.027277375
- Complexity: 120
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 58.2
- Heavy Atom Count: 7
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBDMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADBgAQBAALAAAAIAAEQEAAAAAAAAAAAAICIAACAQAAAACAQAAAIFyIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
-
When it comes to cosmetics, various ingredients are added, including effective skincare components and some additives. Each additive plays a different role and has its own significance. So, what is Hy..
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