Cas no 82465-52-9 (3-Methyl-1-(pyridin-3-yl)butan-1-one)

3-Methyl-1-(pyridin-3-yl)butan-1-one structure
82465-52-9 structure
Product Name:3-Methyl-1-(pyridin-3-yl)butan-1-one
CAS No:82465-52-9
MF:C10H13NO
MW:163.216322660446
CID:1087222
PubChem ID:329775754
Update Time:2024-10-27

3-Methyl-1-(pyridin-3-yl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-1-(pyridin-3-yl)butan-1-one
    • 3-methyl-1-(3-pyridinyl)-1-Butanone
    • 3-methyl-1-(3-pyridinyl)-1-butanone(SALTDATA: FREE)
    • 3-Methyl-1-(3-pyridinyl)-1-butanone (ACI)
    • 3-Methyl-1-(3-pyridyl)-1-butanone
    • DA-23411
    • AKOS010013914
    • 3-methyl-1-pyridin-3-ylbutan-1-one
    • MFCD09864468
    • AS-48284
    • SCHEMBL14073817
    • 3-Methyl-1-(3-pyridinyl)-1-butanone #
    • 3-Methyl-1-(3-pyridinyl)-1-butanone, AldrichCPR
    • UYDDFOUEMHGSEZ-UHFFFAOYSA-N
    • CS-0455916
    • SB54448
    • 82465-52-9
    • F30170
    • MDL： MFCD09864468
    • Inchi： 1S/C10H13NO/c1-8(2)6-10(12)9-4-3-5-11-7-9/h3-5,7-8H,6H2,1-2H3
    • InChI Key： UYDDFOUEMHGSEZ-UHFFFAOYSA-N
    • SMILES： O=C(CC(C)C)C1C=CC=NC=1

Computed Properties

  • Exact Mass: 163.10000
  • Monoisotopic Mass: 163.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 154
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96000
  • LogP: 2.31040

3-Methyl-1-(pyridin-3-yl)butan-1-one Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H317
  • Warning Statement： P280
  • Hazardous Material transportation number：UN 2811 6.1 / PGIII
  • WGK Germany：3
  • Hazard Category Code： 22-43
  • Safety Instruction： 36/37
  • Hazardous Material Identification： Xn

3-Methyl-1-(pyridin-3-yl)butan-1-one Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Methyl-1-(pyridin-3-yl)butan-1-one Pricemore >>

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3-Methyl-1-(pyridin-3-yl)butan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: α-3-Pyridinyl-3-pyridinemethanol Solvents: Acetone
Reference
Fungicidal pyridine derivatives. I. α-(Trichloromethyl)-3-pyridinemethanols
Sauter, Fritz; et al, Monatshefte fuer Chemie, 1988, 119(12), 1427-38

Production Method 2

Reaction Conditions
1.1 Solvents: Diethyl ether
2.1 Reagents: α-3-Pyridinyl-3-pyridinemethanol Solvents: Acetone
Reference
Fungicidal pyridine derivatives. I. α-(Trichloromethyl)-3-pyridinemethanols
Sauter, Fritz; et al, Monatshefte fuer Chemie, 1988, 119(12), 1427-38

3-Methyl-1-(pyridin-3-yl)butan-1-one Raw materials

3-Methyl-1-(pyridin-3-yl)butan-1-one Preparation Products

3-Methyl-1-(pyridin-3-yl)butan-1-one Related Literature

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