4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-YL)-benzenesulfonic acid
Basic information
- CAS
92708-87-7- Standard SMILES
O=S(=O)(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1- InChIKey
YWAOCPLEJJCYHC-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.10381361
Names & identifiers
- Preferred name
- 4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-YL)-benzenesulfonic acid
- IUPAC
- 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonic acid
- English name
- 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
- Molecular formula
- C21H18N2O3S
- Molecular weight
- 378.44422
Names & synonyms
4-(3,5-DIPHENYL-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZENESULFONIC ACIDRefChem:512914684-964-392708-87-7Benzenesulfonic acid, 4-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)-4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acidCBDivE_007780CHEMBL1618644SCHEMBL31429963DTXSID40385505KUC114051NAKOS024428447
Show more names
KSC-400-0034-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Database identifiers
- CAS
92708-87-7- PubChem CID
- 2837484
- DTXSID
DTXSID40385505- ChEMBL
CHEMBL1618644- EC Number
- 684-964-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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