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53398-55-3

Basic Information
CAS No.: 53398-55-3
Name: 1-Bromo-3,5,7-trimethyladamantane
Article Data: 10
Molecular Structure:
Molecular Structure of 53398-55-3 (1-Bromo-3,5,7-trimethyladamantane)
Formula: C13H21Br
Molecular Weight: 257.214
Synonyms: Adamantane,1-bromo-3,5,7-trimethyl- (7CI);NSC 251758;
Density: 1.333 g/cm3
Melting Point: 101ºC
Boiling Point: 254.2 °C at 760 mmHg
Flash Point: 118.9 °C
Hazard Symbols: Xi
PSA: 0.00000
LogP: 4.52040
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    53398-55-3

    1-bromo-3,5,7-trimethyladamantane

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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  • 1-Bromo-3,5,7-trimethyladamantane

  • Casno:

    53398-55-3

    1-Bromo-3,5,7-trimethyladamantane

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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  • Adamantane Impurity 1 (1-Bromo-3,5,7-Trimethyl Adamantane)

  • Casno:

    53398-55-3

    Adamantane Impurity 1 (1-Bromo-3,5,7-Trimethyl Adamantane)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High purity Application:Pharmaceutical intermediates, Material synthesis and analyzing the expectant ingredients

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

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Specification

The 1-Bromo-3, 5, 7-trimethyladamantane, with the CAS registry number 53398-55-3, is also known as Tricyclo[3.3.1.13,7]decane, 1-bromo-3, 5, 7-trimethyl-. This chemical's molecular formula is C13H21Br and molecular weight is 257.21. What's more, its IUPAC name is 1-Bromo-3, 5, 7-trimethyladamantane.

Physical properties about 1-Bromo-3, 5, 7-trimethyladamantane are: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 63.73 cm3; (9)Molar Volume: 192.8 cm3; (10)Polarizability: 25.26×10-24 cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.333 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 47.17 kJ/mol; (15)Boiling Point: 254.2 °C at 760 mmHg; (16)Vapour Pressure: 0.028 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC13CC2(CC(CC(C1)(C)C2)(C3)C)C
(2) InChI: InChI=1/C13H21Br/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3
(3) InChIKey: DUNJTZWVWZSEKK-UHFFFAOYAC