4-Biphenylyl mesitylenesulfonate
Basic information
- CAS
67811-08-9- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c(C)c1- InChIKey
KVZYSRBCNAUSSK-UHFFFAOYSA-N- Molecular formula
- C21H20O3S
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.11331567
Names & identifiers
- Preferred name
- 4-Biphenylyl mesitylenesulfonate
- IUPAC
- (4-phenylphenyl) 2,4,6-trimethylbenzenesulfonate
- English name
- 4-Biphenylyl mesitylenesulfonate
- Molecular formula
- C21H20O3S
- Molecular weight
- 352.45
Names & synonyms
4-BIPHENYLYL MESITYLENESULFONATERefChem:51856667811-08-9667-683-0AKOS0244327231,1'-Biphenyl]-4-yl 2,4,6-trimethylbenzenesulfonateBenzenesulfonic acid, 2,4,6-trimethyl-, [1,1'-biphenyl]-4-yl ester
Database identifiers
- CAS
67811-08-9- PubChem CID
- 4638541
- EC Number
- 667-683-0
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Melting point
- 92 · 92-93 °C(Solv: ethanol (64-17-5))
- Boiling point
- 516.8 · 516.8±50.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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