Cas no 39539-66-7 (4-Methylpiperazine-1-carbonyl chloride)

4-Methylpiperazine-1-carbonyl chloride is a reactive acyl chloride derivative used primarily as a versatile intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include high reactivity with nucleophiles, enabling efficient amide bond formation, and its compatibility with a range of functional groups. The methylpiperazine moiety contributes to enhanced solubility and bioavailability in drug design, making it valuable for modifying pharmacophores. The compound is typically handled under anhydrous conditions due to its moisture sensitivity. It is particularly useful in the preparation of active pharmaceutical ingredients (APIs) and fine chemicals, where precise functionalization is required. Proper storage and handling are essential to maintain stability.
4-Methylpiperazine-1-carbonyl chloride structure
39539-66-7 structure
Product Name:4-Methylpiperazine-1-carbonyl chloride
CAS No:39539-66-7
MF:C6H11ClN2O
MW:162.617340326309
MDL:MFCD01320509
CID:55042
PubChem ID:24880087
Update Time:2025-10-19

4-Methylpiperazine-1-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Methylpiperazine-1-carbonyl chloride
    • 4-METHYLPIPERAZINECARBONYL CHLORIDE
    • 4-Methyl-1-piperazinecarbonyl chloride
    • 4-METHYL-PIPERAZINE-1-CARBONYL CHLORIDE
    • 1-chlorocarbonyl-4-methyl-piperazine
    • 1-methyl-4-chlorocarbonylpiperazine
    • 1-methyl-4-chloroformyl-piperazine
    • 4-methylpiperazin-1-yl-carbonyl chloride
    • 4-methylpiperazinocarbonyl chloride
    • N-methyl-N'-piperazinecarbonyl chloride
    • PIP089
    • 4-Methyl-1-chlorocarbonylpiperazine
    • 4-methylpiperazine carbonyl chloride
    • AKOS005612993
    • 1-chlorocarbonyl-4methylpiperazine
    • D87794
    • 4-methyl-1-piperazine carbonyl chloride
    • 4-methylpiperazin-1-ylcarbonyl chloride
    • MFCD01320509
    • 4-Methyl-1-piperazinecarbonyl chloride, 97%
    • METHYL PIPERAZINE CARBAMOYL CHLORIDE
    • 4-methyl-piperzine carbonyl chloride
    • F8884-6449
    • FBAIGEMWTOSCRU-UHFFFAOYSA-N
    • J-515805
    • DTXSID30388500
    • EN300-1154753
    • FT-0655429
    • N-Chlorocarbonyl-N'-methylpiperazine
    • VS-02427
    • 4-Methyl-1-piperazinecarbonyl chloride hydrochloride, 97%
    • 1-Piperazinecarbonyl chloride, 4-methyl-
    • 4-Methylpiperazine-1-carbonylchloride
    • SCHEMBL19486
    • 4-Methyl-1-(Chlorocarbonyl)piperazine
    • N-Methylpiperazin-4-carbamoyl chloride
    • FT-0619103
    • WVQ4QV36ET
    • 1-chlorocarbonyl-4-methylpiperazine
    • 39539-66-7
    • DB-263172
    • STK801538
    • BBL010285
    • MDL: MFCD01320509
    • Inchi: 1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3
    • InChI Key: FBAIGEMWTOSCRU-UHFFFAOYSA-N
    • SMILES: ClC(N1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 162.05600
  • Monoisotopic Mass: 162.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.6
  • Topological Polar Surface Area: 23.6A^2

Experimental Properties

  • Density: 1.200?g/mL?at 25?°C(lit.)
  • Melting Point: 225-228?°C(lit.)
  • Boiling Point: 278-279?°C(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.4980(lit.)
  • PSA: 23.55000
  • LogP: 0.46840

4-Methylpiperazine-1-carbonyl chloride Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3265 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • Storage Condition:2-8°C
  • Risk Phrases:R34

4-Methylpiperazine-1-carbonyl chloride Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Methylpiperazine-1-carbonyl chloride Pricemore >>

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4-Methylpiperazine-1-carbonyl chloride Production Method

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