Cas no 53398-55-3 (1-Bromo-3,5,7-trimethyladamantane)

1-Bromo-3,5,7-trimethyladamantane is a brominated derivative of trimethyladamantane, characterized by its rigid adamantane core structure. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its sterically hindered framework, which imparts stability and influences reactivity in substitution and functionalization reactions. The presence of bromine at the 1-position enhances its utility as an intermediate for further derivatization, including cross-coupling and nucleophilic substitution reactions. Its well-defined molecular geometry and predictable reactivity make it a valuable building block for constructing complex polycyclic systems. The compound is typically handled under inert conditions due to its sensitivity to light and moisture.
1-Bromo-3,5,7-trimethyladamantane structure
53398-55-3 structure
Product Name:1-Bromo-3,5,7-trimethyladamantane
CAS No:53398-55-3
MF:C13H21Br
MW:257.209843397141
MDL:MFCD00154002
CID:368276
PubChem ID:429253
Update Time:2025-06-09

1-Bromo-3,5,7-trimethyladamantane Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3,5,7-trimethyladamantane
    • Tricyclo[3.3.1.13,7]decane,1-bromo-3,5,7-trimethyl-
    • 1-bromo-3,5,8-trimethyladamantane
    • 3,5,7-trimethyl-1-bromoadamantane
    • HMS553D03
    • NSC 251758
    • AKOS025395444
    • NSC-251758
    • MFCD00154002
    • CS-0186319
    • FT-0607473
    • 1-Bromo-3,5,7-Trimethyl Adamantane
    • C75503
    • A917929
    • 53398-55-3
    • DUNJTZWVWZSEKK-UHFFFAOYSA-N
    • NSC251758
    • 1-BROMO-3,7-TRIMETHYL-TRICYCLO[3.3.1.1(3,7)]DECANE
    • AKOS022172992
    • C13H21Br
    • 1-Bromo-3,5,7-trimethyltricyclo[3.3.1.1~3,7~]decane
    • AS-61292
    • Tricyclo[3.3.1.13,7]decane, 1-bromo-3,5,7-trimethyl-
    • BCP09950
    • Maybridge1_004115
    • SCHEMBL1939702
    • DTXSID80330377
    • DB-071674
    • MDL： MFCD00154002
    • Inchi： 1S/C13H21Br/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3
    • InChI Key： DUNJTZWVWZSEKK-UHFFFAOYSA-N
    • SMILES： BrC12CC3(C)CC(C)(C1)CC(C)(C2)C3

Computed Properties

  • Exact Mass: 256.08300
  • Monoisotopic Mass: 256.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 234
  • 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: 5.7
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.333±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 101-102 oC
  • Boiling Point: 254.2±9.0 oC (760 Torr),
  • Flash Point: 118.9±8.4 oC,
  • Refractive Index: 1.575
  • Solubility: Insuluble (1.9E-3 g/L) (25 oC),
  • PSA: 0.00000
  • LogP: 4.52040
  • Vapor Pressure: No data available

1-Bromo-3,5,7-trimethyladamantane Security Information

1-Bromo-3,5,7-trimethyladamantane Customs Data

  • HS CODE：2903890090
  • Customs Data：

    China Customs Code:

    2903890090

    Overview:

    2903890090. Other naphthenic hydrocarbons\Halogenated derivatives of cycloalkenes or cycloterpene alkenes. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

1-Bromo-3,5,7-trimethyladamantane Pricemore >>

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1-Bromo-3,5,7-trimethyladamantane Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:53398-55-3)1-Bromo-3,5,7-trimethyladamantane
Order Number:A917929
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 13:04
Price ($):566.0

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Amadis Chemical Company Limited
(CAS:53398-55-3)1-Bromo-3,5,7-trimethyladamantane
A917929
Purity:99%
Quantity:1g
Price ($):566.0
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