Basic information
- CAS
27534-86-7- Standard SMILES
O=C1NC(=O)C(c2ccccc2)N1- InChIKey
NXQJDVBMMRCKQG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Overview
Phenylhydantoin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Phenylhydantoin
- IUPAC
- 5-phenylimidazolidine-2,4-dione
- English name
- 5-Phenylhydantoin
- Molecular formula
- C9H8N2O2
- Molecular weight
- 0
Names & synonyms
5-Phenylhydantoin89-24-7phenylhydantoinHydantoin, 5-phenyl-2,4-Imidazolidinedione, 5-phenyl-ZQL8E3X7HKNSC-27302NSC-40885NSC-51847DTXSID30883267RefChem:103395DTXCID20893431
Show more names
Nsc518475-PHENYLHYDANTOIN 99+%2,4-Imidazolidinedione, 5-phenyl-, (.+-.)-
4-phenyl-4H-imidazole-2,5-diol201-890-55-phenylimidazolidine-2,4-dioneMFCD000378815-Phenyl-2,4-imidazolidinedioneMLS00263915827534-86-72, 5-phenyl-
Database identifiers
- CAS
27534-86-7、89-24-7- PubChem CID
- 1002
- DTXSID
DTXSID30883267- ChEMBL
CHEMBL156406- UNII
- ZQL8E3X7HK
- EC Number
- 201-890-5
- Nikkaji
- J26.364H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Imidazolidinedione, 5-phenyl-: INACTIVE
Suppliers63 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司
Related reactions
2 records
Compound notes
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