Basic information
- CAS
782-92-3- Standard SMILES
CC(=O)c1ccc(Cc2ccccc2)cc1- InChIKey
PPYJQGBEZQOXHC-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Names & identifiers
- Preferred name
- 4-Acetyldiphenylmethane
- IUPAC
- 1-(4-benzylphenyl)ethanone
- English name
- (4-Acetylphenyl)phenylmethane
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
4-acetyldiphenylmethaneRefChem:517341673-034-21-(4-Benzylphenyl)ethanone782-92-3(4-Acetylphenyl)phenylmethane1-(4-benzylphenyl)ethan-1-one4'-BenzylacetophenoneMFCD000797001-acetyl-4-benzylbenzene4-(Acetylphenyl)phenylmethane4'-Benzyl-acetophenone; 1-[4-(Phenylmethyl)phenyl]ethanone; (4-Benzylphenyl)(methyl)methanone; 4-Acetyldiphenylmethane; 4'-Benzylacetophenone; NSC 87372
Show more names
AKOS BBS-00000790Ethanone, 1-[4-(phenylmethyl)phenyl]-4-Acetyldiphenylmethane, 4'-Benzylacetophenone
NSC873721-[4-(phenylmethyl)phenyl]ethanoneMLS0006828011-(4-Benzylphenyl)ethanone #SCHEMBL2772794SCHEMBL3991709SCHEMBL3993381SCHEMBL3995497
Database identifiers
- CAS
782-92-3- PubChem CID
- 258457
- DTXSID
DTXSID30293140- ChEMBL
CHEMBL1324678- EC Number
- 673-034-2
- Nikkaji
- J695.085J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 38 °C · 38 °C
- Boiling point
- 188 · 188-190 °C(Press: 5 Torr)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- form
- low melting solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2902900000 · 2902900000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2902900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-(4-Benzylphenyl)ethanone is used in the preparation of di- and triarylmethanes through palladium-catalyzed reductive coupling of N-tosylhydrazones and aryl bromides.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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