Cas no 79524-20-2 (4-(4-Nitrophenyl)butan-1-ol)

4-(4-Nitrophenyl)butan-1-ol structure
4-(4-Nitrophenyl)butan-1-ol structure
Product Name:4-(4-Nitrophenyl)butan-1-ol
CAS No:79524-20-2
MF:C10H13NO3
MW:195.215122938156
CID:580002
PubChem ID:24851173
Update Time:2024-10-27

4-(4-Nitrophenyl)butan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Nitrophenyl)butan-1-ol
    • 4-(4-Nitrophenyl)-1-Butanol
    • 4-(4-nitrophenyl)-butan-1-ol
    • 4-(4-nitro-phenyl)-butan-1-ol
    • 4-(4-nitrophenyl)-butanol
    • 4-(p-nitrophenyl)butanol
    • AC1LBXU6
    • AC1Q7COW
    • ACMC-1BEJY
    • Benzenebutanol, 4-nitro-
    • EINECS 279-175-2
    • SureCN358325
    • 1-(4-hydroxybutyl)-4-nitrobenzene
    • 79524-20-2
    • NS00061228
    • 4-(4-nitrophenyl)butane-1-ol
    • 997U222F6A
    • AKOS015916601
    • F79754
    • 4-(4-Nitrophenyl)-1-butanol, 95%
    • CS-0366366
    • 4-Nitro-benzenebutanol
    • 4-(4-nitrophenyl) butanol
    • 4-(4-Hydroxybutyl)nitrobenzene
    • Benzenebutanol, 4-nitro
    • SCHEMBL358325
    • 4-(4-Nitrophenyl)-1-butanol #
    • DTXSID601000562
    • 4-Nitrobenzenebutanol
    • 4-(4-nitrophenyl)butanol
    • FT-0641723
    • 4-Nitrobenzenebutanol (ACI)
    • DB-056370
    • MDL： MFCD00007388
    • Inchi： 1S/C10H13NO3/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7,12H,1-3,8H2
    • InChI Key： MFYJBAQONVFIFC-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(CCCCO)=CC=1)=O

Computed Properties

  • Exact Mass: 195.08959
  • Monoisotopic Mass: 195.089543
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 171
  • 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: nothing
  • Topological Polar Surface Area: 66

Experimental Properties

  • Density: 1.154?g/mL?at 25?°C(lit.)
  • Boiling Point: 356.2°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.557(lit.)
  • PSA: 63.37
  • LogP: 2.43300

4-(4-Nitrophenyl)butan-1-ol Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3

4-(4-Nitrophenyl)butan-1-ol Pricemore >>

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4-(4-Nitrophenyl)butan-1-ol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Water Catalysts: Benzophenone Solvents: Acetonitrile ,  Water
Reference
Topologically Controlled Coulombic Interactions, a New Tool in the Developing of Novel Reactivity. Photochemical and Electrochemical Cleavage of Phenyl Alkyl Ethers
Marquet, Jorge; Cayon, Eduard; Martin, Xavier; Casado, Francisco; Gallardo, Iluminada; et al, Journal of Organic Chemistry, 1995, 60(12), 3814-25

Production Method 2

Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran
1.2 Reagents: Methanol
Reference
Novel tropane-based irreversible ligands for the dopamine transporter
Zou, Mu-Fa; Kopajtic, Theresa; Katz, Jonathan L.; Wirtz, Sara; Justice, Joseph B. Jr.; et al, Journal of Medicinal Chemistry, 2001, 44(25), 4453-4461

Production Method 3

Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ;  15 min, rt; 1 h, rt
1.2 Reagents: Methanol ;  rt
Reference
Substrate and Catalyst Effects in the Enantioselective Copper-Catalysed C-H Insertion Reactions of α-Diazo-β-oxo Sulfones
Shiely, Amy E. ; Clarke, Leslie-Ann; Flynn, Christopher J.; Buckley, Aoife M. ; Ford, Alan; et al, European Journal of Organic Chemistry, 2018, 2018(19), 2277-2289

4-(4-Nitrophenyl)butan-1-ol Raw materials

4-(4-Nitrophenyl)butan-1-ol Preparation Products

4-(4-Nitrophenyl)butan-1-ol Related Literature

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