p-Phenylpropiophenone
Basic information
- CAS
37940-57-1- Standard SMILES
CCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
JMBGDQSXJHLFTO-UHFFFAOYSA-N- Molecular formula
- C15H14O
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.10446507
Names & identifiers
- Preferred name
- p-Phenylpropiophenone
- IUPAC
- 1-(4-phenylphenyl)propan-1-one
- English name
- 4-PROPIONYLBIPHENYL
- Molecular formula
- C15H14O
- Molecular weight
- 210.27
Names & synonyms
4-Propionylbiphenyl37940-57-1p-Phenylpropiophenone4-Phenylpropiophenone4'-PhenylpropiophenonePropiophenone, 4'-phenyl-4-Biphenylyl ethylketoneKetone, 4-biphenyl ethyl4-Propanoylbiphenyl1-(biphenyl-4-yl)propan-1-one1-Propanone, 1-(1,1'-biphenyl)-4-yl-NSC 24800
Show more names
1-([1,1'-Biphenyl]-4-yl)propan-1-oneNsc24800Wln: 2vr dr4-biphenyl ethyl4-n-Propionybiphenyl4’-phenyl-propiophenon
BRN 2047144J577D9RAJ8NSC-248001-(1,1'-biphenyl-4-yl)propan-1-one1-[1,1'-Biphenyl]-4-yl-1-propanoneDTXSID601913823-07-00-02183 (Beilstein Handbook Reference)1-(1,1'-BIPHENYL)-4-YL-1-PROPANONE
Database identifiers
- CAS
37940-57-1- PubChem CID
- 95230
- DTXSID
DTXSID60191382- ChEMBL
CHEMBL1519521- UNII
- J577D9RAJ8
- EC Number
- 684-364-1
- Nikkaji
- J51.128E
Properties
Computed structural properties
- XLogP
- 4.2
- 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 PropertiesChemical structure
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 344 °C · 344 °C
- Density
- 1.0232 · 1.0232 (rough estimate)
- refractive index
- 1.5725 · 1.5725 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 37940 · 37940-57-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 577 D9RAJ8 · J577D9RAJ8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- UH4400550
- hs_code
- 2914.39.9000
- Toxicity
- LD50 ivn-mus: 180 mg/kg CSLNX* NX#04519
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
9 records
Compound notes
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