Basic information
- CAS
642-36-4- Standard SMILES
O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1- InChIKey
JAWYWGRTWUVTEN-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.094963
Names & identifiers
- Preferred name
- 1,3-Dihydro-4,5-diphenyl-2H-imidazol-2-one
- IUPAC
- 4,5-diphenyl-1,3-dihydroimidazol-2-one
- English name
- 4,5-Diphenylimidazolin-2-one
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
1,3-Dihydro-4,5-diphenyl-2H-imidazol-2-oneRefChem:414460623-475-12H-Imidazol-2-one, 1,3-dihydro-4,5-diphenyl-4,5-diphenyl-1,3-dihydroimidazol-2-oneMFCD000223934,5-diphenyl-1,3-dihydro-2H-imidazol-2-one4,5-DIPHENYL-1H-IMIDAZOL-2(3H)-ONECHEMBL15270114,5-diphenyl-1H-imidazol-2-ol4,5-Diphenyl-2(3H)-imidazolone4,5-diphenyl-4-imidazolin-2-one
Show more names
AKOS BC-17744,5-DIPHENYLGLYOXALONE4,5-DIPHENYLIMIDAZOLONE4,5-DIPHENYL-2-GLYOXALONE4,5-DIPHENYL-2-IMIDAZOLONE4,5-Diphenylimidazolin-2-one4,5-Diphenylimidazolinone,98%4，5-dibenzeneimidazolelineone4,5-Diphenyl-1H-imidazol-2(5H)
NSC28032ChemDiv2_000235Oprea1_123045MLS000084669SCHEMBL3957384SCHEMBL8442953DTXSID30982744HMS1369K15
Database identifiers
- CAS
642-36-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Exact Mass236.094963011 Da
Molecular Weight236.27 g/mol
Monoisotopic Mass236.094963011 Da
Compound Is CanonicalizedYes
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.70(Predicted)
- BRN
- 187611 · 187611
- CAS DataBase Reference
- 642 · 642-36-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers26 total
山东玖玥生物科技有限公司15553333686
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
陕西麟邦实业有限公司17709134430 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
19 records
Compound notes
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