4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride

Base Information

• Chemical Name: 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride
• CAS No.: 106261-64-7
• Molecular Formula: C13H19Cl3N2O
• Molecular Weight: 325.66
• European Community (EC) Number: 680-808-3,802-073-1
• DSSTox Substance ID: DTXSID10603844
• Mol file: 106261-64-7.mol

Synonyms:106261-64-7;4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride;4-((4-Methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;dihydrochloride;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride;MFCD11519983;4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride 2hcl;4-(4-methylpiperazin-1-ylmethyl)benzoyl chloride dihydrochloride;4-[(4-methyl-1-piperazinyl)methyl]benzoyl chloride dihydrochloride;DDKLQZDSVJKYLJ-UHFFFAOYSA-N;Benzoyl chloride, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride;SCHEMBL529195;DTXSID10603844;AMY22082;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride,dihydrochloride;AKOS015909677;AC-23930;AS-39950;SY245383;NS00078072;A801429;A851421;A1-03413;4-(4-METHYLPIPERAZINYLMETHYL)BENZOYL CHLORIDE 2HCL;4-(4-Methylpiperazinylmethyl)benzoyl-chloride dihydrochloride;4-(4-methylpiperzin-1-ylmethyl)benzoyl chloride dihydrochloride;4-(4-methylpiperazin-1-yl-methyl)benzoyl chloride dihydrochloride;4-[(4-Methylpiperazin-1-yl)methyl]benzoyl chloride--hydrogen chloride (1/2)

Chemical Property of 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride

Chemical Property:

• Appearance/Colour: white power
• Vapor Pressure: 4.03E-07mmHg at 25°C
• Boiling Point: 410 °C at 760 mmHg
• Flash Point: 201.8 °C
• PSA: 23.55000
• LogP: 3.29280
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly)
• Water Solubility.: 100vol% at 20℃[vol%]
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 324.056296
• Heavy Atom Count: 19
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Methylpiperazinylmethyl)benzoyl-chloridedihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)Cl.Cl.Cl
• Uses: 4-((4-Methylpiperazin-1-yl)methyl)benzoyl Chloride Dihydrochloride is an intermediate in the synthesis of Gleevec N-4-((4-Methylpiperazin-1-yl)methyl)benzaldehyde (G407010), an impurity of Gleevec (G407000), a tyrosine kinase inhibitor which is highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL).