3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carboxylic acid
• CAS No.: 306937-02-0
• Molecular Formula: C15H16Cl2N2O2
• Molecular Weight: 327.213
• DSSTox Substance ID: DTXSID40370870
• Wikidata: Q82158029
• ChEMBL ID: CHEMBL1421810
• Mol file: 306937-02-0.mol

Synonyms:306937-02-0;3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carboxylic acid;5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid;3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carboxylic acid;1H-Pyrazole-5-carboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)-;Maybridge1_008753;Oprea1_528094;MLS000850757;SCHEMBL3064847;CHEMBL1421810;HMS566F19;DTXSID40370870;HMS2799L04;MFCD01571367;SMR000456774;FT-0613881;3-tert-Butyl-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazole-5-carboxylic acid

Chemical Property of 3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.67E-10mmHg at 25°C
• Boiling Point: 487.1°C at 760 mmHg
• PKA: 3.49±0.36(Predicted)
• Flash Point: 248.4°C
• PSA: 55.12000
• Density: 1.31g/cm³
• LogP: 4.23390
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 326.0588831
• Heavy Atom Count: 21
• Complexity: 386

Purity/Quality:

98%Min ^*data from raw suppliers

3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=C(C=C(C=C2)Cl)Cl