5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
282523-49-3- Standard SMILES
Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1cccc(Cl)c1- InChIKey
CTNOWZKNZZFOFF-UHFFFAOYSA-N- Molecular formula
- C12H8ClF3N2O3
- Average molar mass
- 320.65 g/mol
Names & identifiers
- Preferred name
- 5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
- English name
- 5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
- Molecular formula
- C12H8ClF3N2O3
- Molecular weight
- 320.65
Names & synonyms
5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid282523-49-35-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic AcidC12H8ClF3N2O3MFCD00243689SCHEMBL876769CTNOWZKNZZFOFF-UHFFFAOYSA-N3-{[4-Carboxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}chlorobenzeneAKOS00506918310F-382SCS-03238075-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole- 4-carboxylic acid
Show more names
RARECHEM AL BE 10691H-Pyrazole-4-carboxylic acid, 5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)-5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid97%
5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
282523-49-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 177 · 177-178°C
- form
- solid
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
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Related reactions
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Compound notes
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