4-(2-(2-((1,1'-Biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)phenyl benzoate
Basic information
- CAS
303085-61-2- Standard SMILES
CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1- InChIKey
PVJLOHVSWXDOKV-TWKHWXDSSA-N- Molecular formula
- C29H24N2O4
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.17360725
Names & identifiers
- Preferred name
- 4-(2-(2-((1,1'-Biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)phenyl benzoate
- IUPAC
- [4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
- English name
- 4-[(1E)-[(2-{[1,1'-biphenyl]-4-yloxy}propanamido)imino]methyl]phenyl benzoate
- Molecular formula
- C29H24N2O4
- Molecular weight
- 464.51
Names & synonyms
4-(2-(2-((1,1'-BIPHENYL)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL BENZOATERefChem:511472303085-61-2659-116-0AKOS0244010884-[(1E)-[(2-{[1,1'-biphenyl]-4-yloxy}propanamido)imino]methyl]phenyl benzoate
Database identifiers
- CAS
303085-61-2- PubChem CID
- 9609566
- EC Number
- 659-116-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Density
- 1.159 · 1.159±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.042 · 12.042±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-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
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 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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