Basic information
- CAS
2420-17-9- Standard SMILES
O=C1NC(=O)C(c2ccc(O)cc2)N1- InChIKey
UMTNMIARZPDSDI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- 5-(4-Hydroxyphenyl)imidazolidine-2,4-dione
- IUPAC
- 5-(4-hydroxyphenyl)imidazolidine-2,4-dione
- English name
- 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione
- Molecular formula
- C9H8N2O3
- Molecular weight
- 192.17
Names & synonyms
5-(4-Hydroxyphenyl)imidazolidine-2,4-dione5-(p-Hydroxyphenyl)hydantoinEINECS 219-340-8NSC 101474EC 219-340-8DTXSID401036167RefChem:530404DTXCID201520374219-340-82420-17-95-(4-Hydroxyphenyl)hydantoin4-Hydroxyphenyl hydantoin
Show more names
P-hydantoinRARECHEM AP KH 0026Hydantoin Impurity 29Hydroxyphenylhydantoin4-Hydroxyphenyhydantoin4-Hydroxybenzohydantoinp-HydroxyphenylhydantoinDL-p-Hydroxybenzohydantoin
MFCD000440025-(4-Hydroxyphenyl)-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)-54832-24-5NSC101474Oprea1_2508345-(p-hydroxy-phenyl)hydantoin5-(p-hydroxyphenyl)-hydantoin
Database identifiers
- CAS
2420-17-9- PubChem CID
- 94233
- DTXSID
DTXSID401036167- EC Number
- 219-340-8
- Nikkaji
- J26.363J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 260 °C · >260°C
- Boiling point
- 273.7 ℃[at · 273.7℃[at 101 325 Pa]
- Density
- 1.408 · 1.408
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 8.67 · 8.67±0.10(Predicted)
- color
- White to Almost white
- Water Solubility
- 1.29 g/L · 1.29g/L at 20℃
- InChI
- InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)
- InChIKey
- UMTNMIARZPDSDI-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(C2=CC=C(O)C=C2)C(=O)N1
- LogP
- -0.03 at · -0.03 at 20℃
- CAS DataBase Reference
- 2420 · 2420-17-9(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5-(4-hydroxyphenyl)imidazolidine-2,4-dione (EC: 219-340-8)
Hazard Classes and CategoriesAquatic Acute 1 (33.3%)
Safety data
- wgk
- WGK 3
- ridadr
- UN3077
- hs_code
- 2933.21.0000
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312-H315-H318-H411
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Applications
Uses5-(4-Hydroxyphenyl)-2,4-imidazolidinedione is used in the synthesis of D-p-hydroxyphenylglycine, it is an important pharmaceutical intermediate in the production of amoxicillin, cephalosporins, etc. As a side chain of β-lactam semi-synthetic antibiotics, it is used in the production of antibiotics such as amoxicillin, which have broad-spectrum antibacterial properties and are convenient to use.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
16 records
Compound notes
Loading…