3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Base Information

• Chemical Name: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
• CAS No.: 175203-24-4
• Molecular Formula: C13H13BrN2O2
• Molecular Weight: 309.16
• Hs Code.: 2933199090
• European Community (EC) Number: 630-319-6
• DSSTox Substance ID: DTXSID30353096
• Wikidata: Q82130549
• Mol file: 175203-24-4.mol

Synonyms:175203-24-4;3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid;3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;3-((4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl)benzoic acid;3-[(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl]-benzoic acid;3-(4-Bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid;3-(4-bromo-3,5-dimethylpyrazol-1-ylmethyl)benzoic acid;Maybridge1_004850;Oprea1_061585;AK-968/37166221;SCHEMBL6890176;HMS555E10;DTXSID30353096;BBL013553;MFCD00068048;STK064217;AKOS000304311;PS-7090;BB 0253470;CS-0282714;FT-0614805;EN300-83512;1,3-Diphenyl-2-(1-phenylpropyl)propane-1,3-dione;W-206193;3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoicacid;Benzoicacid,3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-

Chemical Property of 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Chemical Property:

• Vapor Pressure: 5.42E-10mmHg at 25°C
• Melting Point: 226-228
• Refractive Index: 1.63
• Boiling Point: 479.2 °C at 760 mmHg
• Flash Point: 243.6 °C
• PSA: 55.12000
• Density: 1.5 g/cm³
• LogP: 3.00890
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.01604
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)O)C)Br