5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
78874-27-8- Standard SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1- InChIKey
WCZPMEQHESUUAM-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2N2O2
- Average molar mass
- 257.07 g/mol
- Monoisotopic mass
- 255.9806328
Names & identifiers
- Preferred name
- 5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
- English name
- 5-(2,4-Dichloro-phenyl)-4H-pyrazole-3-carboxylic acid
- Molecular formula
- C10H6Cl2N2O2
- Molecular weight
- 257.07
Names & synonyms
5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid78874-27-8DTXSID80359144RefChem:299304DTXCID203101983-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acidMFCD049697765-(2,4-DICHLORO-PHENYL)-4H-PYRAZOLE-3-CARBOXYLIC ACIDMLS-0146147.00015-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid1H-pyrazole-3-carboxylic acid, 5-(2,4-dichlorophenyl)-5-(2,4-dichlorophenyl)-2H-pyrazole-3-carboxylic Acid
Show more names
AKOS B020529ART-CHEM-BB B0205293-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
5-(2,4-Dichloro-phenyl)-1H-pyrazole-3-carboxylic acidcid_945124SCHEMBL2558487CHEMBL1523213SCHEMBL25188817BDBM45925WCZPMEQHESUUAM-UHFFFAOYSA-NALBB-012090
Database identifiers
- CAS
78874-27-8- PubChem CID
- 945124
- DTXSID
DTXSID80359144- ChEMBL
CHEMBL1523213
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 214 °C · 214 °C(Solv: ethanol (64-17-5))
- Boiling point
- 512.3 · 512.3±50.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.75 · 3.75±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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