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

Name
1-Bromo-3,5,7-trimethyladamantane
EINECS
CAS No. 53398-55-3
Article Data10
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 101ºC
Formula C₁₃H₂₁Br
Boiling Point 254.2 °C at 760 mmHg
Molecular Weight 257.214
Flash Point 118.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Adamantane,1-bromo-3,5,7-trimethyl- (7CI);NSC 251758;
PSA 0.00000
LogP 4.52040

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

The 1-Bromo-3, 5, 7-trimethyladamantane, with the CAS registry number 53398-55-3, is also known as Tricyclo[3.3.1.1^3,7]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

Product Name

1-Bromo-3,5,7-trimethyladamantane

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

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