3-(2,4-Dichloro-5-fluorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
Basic information
- CAS
618382-91-5- Standard SMILES
O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccccc1- InChIKey
SEZSUXCCZUQKTQ-UHFFFAOYSA-N- Molecular formula
- C16H9Cl2FN2O2
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 350.0025111
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-5-fluorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-(2,4-dichloro-5-fluorophenyl)-1-phenylpyrazole-5-carboxylic acid
- English name
- 3-(2,4-DICHLORO-5-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
- Molecular formula
- C16H9Cl2FN2O2
- Molecular weight
- 351.16
Names & synonyms
3-(2,4-DICHLORO-5-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID618382-91-5RefChem:490021649-442-15-(2,4-dichloro-5-fluorophenyl)-2-phenylpyrazole-3-carboxylic acidAKOS024412254SALOR-INT L323969-1EA1H-Pyrazole-5-carboxylic acid, 3-(2,4-dichloro-5-fluorophenyl)-1-phenyl-
Database identifiers
- CAS
618382-91-5- PubChem CID
- 3725554
- EC Number
- 649-442-1
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Hazard statements
- 413 · H413
- HS Code
- 2933199090 · 2933199090
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hs_code
- 2933199090
- Hazard statements
- H413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…