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106418-67-1

Basic Information
CAS No.: 106418-67-1
Name: 1-Bromo-4-decylbenzene
Article Data: 11
Molecular Structure:
Molecular Structure of 106418-67-1 (1-Bromo-4-decylbenzene)
Formula: C16H25Br
Molecular Weight: 297.279
Synonyms: 1-Bromo-4-decylbenzene;4-Bromo-1-decylbenzene;
Density: 1.099 g/cm3
Boiling Point: 346 °C at 760 mmHg
Flash Point: 205.7 °C
PSA: 0.00000
LogP: 6.13230
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Specification

The 1-Bromo-4-decylbenzene, with the CAS registry number 106418-67-1, is also known as 4-n-Decylbromobenzene. It belongs to the product categories of 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C16H25Br and molecular weight is 297.27. Its systematic name is called 1-bromo-4-decylbenzene.

Physical properties of 1-Bromo-4-decylbenzene: (1)ACD/LogP: 8.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.23; (4)ACD/LogD (pH 7.4): 8.23; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 716689.31; (8)ACD/KOC (pH 7.4): 716689.31; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 80.55 cm3; (12)Molar Volume: 270.4 cm3; (13)Surface Tension: 33.8 dyne/cm; (14)Density: 1.099 g/cm3; (15)Flash Point: 205.7 °C; (16)Enthalpy of Vaporization: 56.68 kJ/mol; (17)Boiling Point: 346 °C at 760 mmHg; (18)Vapour Pressure: 0.000119 mmHg at 25°C.

Preparation of 1-Bromo-4-decylbenzene: this chemical can be prepared by 4-n-decylbenzenediazonium tetrafluoroborate. This reaction will need reagents bromotrichloromethane, KOAc, 18-crown-6 and solvent tetrahydrofuran. The reaction time is 3 hours. The yield is about 61%.

1-Bromo-4-decylbenzene can be prepared by 4-n-decylbenzenediazonium tetrafluoroborate

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(CCCCCCCCCC)cc1
(2)InChI: InChI=1/C16H25Br/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10H2,1H3
(3)InChIKey: SWTGVSCSSDYINB-UHFFFAOYAA