Cas no 51116-73-5 (Pentane,1-bromo-3-methyl-)

Pentane,1-bromo-3-methyl- structure
Pentane,1-bromo-3-methyl- structure
Product Name:Pentane,1-bromo-3-methyl-
CAS No:51116-73-5
MF:C6H13Br
MW:165.071421384811
CID:383105
PubChem ID:39899
Update Time:2025-09-22

Pentane,1-bromo-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pentane,1-bromo-3-methyl-
    • 1-BROMO-3-METHYLPENTANE
    • 3-ETHYL-1-BUTYL BROMIDE
    • 3-Ethyl-1-bromobutane
    • 3-methyl-1-bromopentane
    • 3-Methylpentylbromide
    • 3-methyl-1-pentylbromide
    • A1-03544
    • BrCH2CH2CH(CH3)C2H5
    • AKOS006276311
    • SCHEMBL793184
    • 51116-73-5
    • EN300-674089
    • Pentane, 1-bromo-3-methyl-
    • d-1-Bromo-3-methylpentane
    • DTXSID60871394
    • 1-Bromo-3-methyl-pentane
    • Inchi: 1S/C6H13Br/c1-3-6(2)4-5-7/h6H,3-5H2,1-2H3
    • InChI Key: MDCCBJLCTOTLKM-UHFFFAOYSA-N
    • SMILES: BrCCC(C)CC

Computed Properties

  • Exact Mass: 164.02000
  • Monoisotopic Mass: 164.020063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 35.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.1770
  • Melting Point: -44.22°C (estimate)
  • Boiling Point: 147.26°C (estimate)
  • Flash Point: 40.1°C
  • Refractive Index: 1.4415
  • PSA: 0.00000
  • LogP: 2.81750

Pentane,1-bromo-3-methyl- Pricemore >>

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Pentane,1-bromo-3-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromotrichloromethane ,  2769993-47-5 Solvents: Nitromethane ;  5 min, rt; cooled; 24 h, 28 °C
Reference
Taming the Chlorine Radical: Enforcing Steric Control over Chlorine-Radical-Mediated C-H Activation
Gonzalez, Miguel I. ; Gygi, David; Qin, Yangzhong ; Zhu, Qilei ; Johnson, Elizabeth J. ; et al, Journal of the American Chemical Society, 2022, 144(3), 1464-1472

Pentane,1-bromo-3-methyl- Preparation Products

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