2-(1-Adamantyl)-4-bromophenol supplier

Name
2-(1-Adamantyl)-4-bromophenol
EINECS
CAS No. 104224-68-2
Article Data17
CAS DataBase
Density 1.442 g/cm³
Solubility
Melting Point 137-141 °C
Formula C₁₆H₁₉BrO
Boiling Point 392.044 °C at 760 mmHg
Molecular Weight 307.23
Flash Point 190.901 °C
Transport Information
Appearance white like or light brown crystalline powder
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Adamantan-1-yl)-4-bromophenol;4-Bromo-2-tricyclo[3.3.1.1(3,7)]dec-1-ylphenol;
PSA 20.23000
LogP 4.62250

2-(1-Adamantyl)-4-bromophenol Specification

The 2-(1-Adamantyl)-4-bromophenol, with the CAS registry number 104224-68-2, is also known as 4-Bromo-2-tricyclo[3.3.1.1(3,7)]dec-1-ylphenol. It belongs to the product categories of Blocks; Bromides; APIs Intermediate; Adamantane derivatives; Phenol & Thiophenol & Mercaptan. This chemical's molecular formula is C₁₆H₁₉BrO and molecular weight is 307.23. What's more, its systematic name is 2-(Adamantan-1-yl)-4-bromophenol. This chemical can be used as APIs intermediate.

Physical properties of 2-(1-Adamantyl)-4-bromophenol are: (1)ACD/LogP: 6.6; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.60; (4)ACD/LogD (pH 7.4): 6.60; (5)ACD/BCF (pH 5.5): 61067.75; (6)ACD/BCF (pH 7.4): 60655.45; (7)ACD/KOC (pH 5.5): 92737.34; (8)ACD/KOC (pH 7.4): 92111.23; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 76.139 cm³; (15)Molar Volume: 213.005 cm³; (16)Polarizability: 30.184×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.442 g/cm³; (19)Flash Point: 190.901 °C; (20)Enthalpy of Vaporization: 66.68 kJ/mol; (21)Boiling Point: 392.044 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(O)cc1)C24CC3CC(CC(C2)C3)C4
(2)Std. InChI: InChI=1S/C16H19BrO/c17-13-1-2-15(18)14(6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2
(3)Std. InChIKey: NYJXKHIVLGWPCF-UHFFFAOYSA-N

Product Name

2-(1-Adamantyl)-4-bromophenol

2-(1-Adamantyl)-4-bromophenol Specification

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