Basic information
- CAS
302904-37-6- Standard SMILES
O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)c1nc2ccccc2[nH]1- InChIKey
QKGYAEBXNAMSFT-UHFFFAOYSA-N- Molecular formula
- C23H17N3O2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.13207679
Names & identifiers
- Preferred name
- 2-(1-(1H-Benzimidazol-2-YL)-2-phenylethyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]isoindole-1,3-dione
- English name
- 2-[1-(1H-1,3-benzodiazol-2-yl)-2-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
- Molecular formula
- C23H17N3O2
- Molecular weight
- 367.39998
Names & synonyms
2-(1-(1H-Benzimidazol-2-YL)-2-phenylethyl)-1H-isoindole-1,3(2H)-dione2-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1H-isoindole-1,3(2H)-dioneRefChem:450651302904-37-6663-820-3Oprea1_409716AKOS0244238932-[1-(1H-1,3-benzodiazol-2-yl)-2-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
Database identifiers
- CAS
302904-37-6- PubChem CID
- 5000977
- EC Number
- 663-820-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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