CAS No.38409-59-5,1-Bromo-3-n-hexylbenzene, 97+% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38409-59-5
Name:	1-Bromo-3-n-hexylbenzene, 97+%
Article Data:	2

Formula:	C₁₂H₁₇Br
Molecular Weight:	241.171
Synonyms:	1-Bromo-3-hexylbenzene;1-Bromo-3-n-hexylbenzene;3-(n-Hexyl)bromobenzene;
Density:	1.179 g/cm³
Boiling Point:	279.6 °C at 760 mmHg
Flash Point:	144.7 °C
Solubility:	Insoluble in water. Fully miscible with ethanol, acetone, toluene, methylene chloride.
PSA:	0.00000
LogP:	4.57190

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Specification

The Benzene, 1-bromo-3-hexyl-, with the CAS registry number 38409-59-5, is also known as 3-(n-Hexyl)bromobenzene. This chemical's molecular formula is C₁₂H₁₇Br and molecular weight is 241.17. What's more, its systematic name is 1-bromo-3-hexylbenzene. It should be sealed and stored in a cool and dry place.

Physical properties of Benzene, 1-bromo-3-hexyl- are: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 25774.35; (6)ACD/BCF (pH 7.4): 25774.35; (7)ACD/KOC (pH 5.5): 50016.51; (8)ACD/KOC (pH 7.4): 50016.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 62.02 cm³; (14)Molar Volume: 204.4 cm³; (15)Polarizability: 24.58×10^-24cm³; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 1.179 g/cm³; (18)Flash Point: 144.7 °C; (19)Enthalpy of Vaporization: 49.75 kJ/mol; (20)Boiling Point: 279.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00674 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)CCCCCC
(2)InChI: InChI=1S/C12H17Br/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h6,8-10H,2-5,7H2,1H3
(3)InChIKey: HZUVRCRPECDFAT-UHFFFAOYSA-N