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

Base Information

• Chemical Name: methyl 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
• CAS No.: 175203-23-3
• Molecular Formula: C14H15 Br N2 O2
• Molecular Weight: 323.18500
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID30381253
• Wikidata: Q82171968
• Mol file: 175203-23-3.mol

Synonyms:175203-23-3;methyl 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate;methyl 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate;Methyl 3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoate;Benzoicacid,3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-,methyl ester;Maybridge1_004806;SCHEMBL7055209;HMS555C10;DTXSID30381253;GDHNOIBECCYEGN-UHFFFAOYSA-N;BBL015891;MFCD00068047;STK510040;AKOS005456066;PS-7037;CS-0315103;FT-0628523;A881615;W-206192;Methyl 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-methyl]benzoate;METHYL3-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]BENZOATE

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

Chemical Property:

• Vapor Pressure: 7.06E-08mmHg at 25°C
• Melting Point: 105-107oC
• Boiling Point: 438.2oC at 760 mmHg
• PKA: 0.93±0.10(Predicted)
• Flash Point: 218.8oC
• PSA: 44.12000
• Density: 1.4g/cm3
• LogP: 3.09730
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 322.03169
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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