Basic information
- CAS
53995-06-5- Standard SMILES
O=c1[nH]ccn1-c1ccccc1- InChIKey
ZZNMRBGELWVJND-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 1-phenyl-2,3-dihydro-1H-imidazol-2-one
- IUPAC
- 3-phenyl-1H-imidazol-2-one
- English name
- 1-phenyl-1,3-dihydro-2H-imidazol-2-one
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
1-phenyl-2,3-dihydro-1H-imidazol-2-oneRefChem:435548822-233-453995-06-51-Phenyl-1H-imidazol-2(3H)-one1-phenyl-1,3-dihydro-2H-imidazol-2-one3-phenyl-1H-imidazol-2-oneMFCD00466795N-phenylimidazoloneNSC6066292H-Imidazol-2-one, 1,3-dihydro-1-phenyl-CHEMBL348340
Show more names
SCHEMBL4732529SCHEMBL5173638SCHEMBL6779830DTXSID00326636DCA99506AKOS017574351NSC-606629BS-40604
Database identifiers
- CAS
53995-06-5- PubChem CID
- 354566
- DTXSID
DTXSID00326636- ChEMBL
CHEMBL348340- EC Number
- 822-233-4
- Nikkaji
- J2.076.771E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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