(1,1'-Biphenyl)-4-YL 3,4,5-trimethoxybenzoate
Basic information
- CAS
300675-69-8- Standard SMILES
COc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC- InChIKey
GCFGWXBMCBZLHL-UHFFFAOYSA-N- Molecular formula
- C22H20O5
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.13107373
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-YL 3,4,5-trimethoxybenzoate
- IUPAC
- (4-phenylphenyl) 3,4,5-trimethoxybenzoate
- English name
- 4-biphenylyl 3,4,5-trimethoxybenzoate
- Molecular formula
- C22H20O5
- Molecular weight
- 364.39
Names & synonyms
[1,1'-biphenyl]-4-yl 3,4,5-trimethoxybenzoate(1,1'-BIPHENYL)-4-YL 3,4,5-TRIMETHOXYBENZOATERefChem:391137662-538-8(4-phenylphenyl) 3,4,5-trimethoxybenzoate300675-69-8Oprea1_392148Oprea1_394730DTXSID40359822STK016495AKOS0004937004-phenylphenyl 3,4,5-trimethoxybenzoate
Show more names
4-biphenylyl 3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, [1,1'-biphenyl]-4-yl ester
biphenyl-4-yl 3,4,5-trimethoxybenzoateST45040948AN-329/40164790
Database identifiers
- CAS
300675-69-8- PubChem CID
- 1011111
- DTXSID
DTXSID40359822- EC Number
- 662-538-8
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 485 · 485.0±15.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · 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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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