CAS No.52997-43-0,1-Bromo-2-hexyldecane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52997-43-0
Name:	1-Bromo-2-hexyldecane
Article Data:	17

Formula:	C₁₆H₃₃Br
Molecular Weight:	305.342
Synonyms:	2-Hexyldecyl bromide;7-(Bromomethyl)pentadecane;
Density:	0.997 g/cm³
Boiling Point:	341.1 °C at 760 mmHg
Flash Point:	107.6 °C
PSA:	0.00000
LogP:	6.71850

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Specification

The Pentadecane,7-(bromomethyl)-, with CAS registry number 52997-43-0, has the systematic name of 7-(bromomethyl)pentadecane. Besides this, it is also called 1-Bromo-2-hexyldecane. And the chemical formula of this chemical is C₁₆H₃₃Br. What's more, its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Pentadecane,7-(bromomethyl)-: (1)ACD/LogP: 8.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.93; (4)ACD/LogD (pH 7.4): 8.93; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1727005.5; (8)ACD/KOC (pH 7.4): 1727005.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 83.86 cm³; (15)Molar Volume: 306.2 cm³; (16)Polarizability: 33.24×10^-24cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.997 g/cm³; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 56.15 kJ/mol; (21)Boiling Point: 341.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCC(CCCCCCCC)CBr
(2)InChI: InChI=1/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
(3)InChIKey: RWEKWRQKAHQYNE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
(5)Std. InChIKey: RWEKWRQKAHQYNE-UHFFFAOYSA-N