1-Bromooctadecane CAS No.:112-89-0

1-Bromooctadecane Specification

The Octadecane, 1-bromo- is an organic compound with the formula C18H37Br. The IUPAC name of this chemical is 1-bromooctadecane. With the CAS registry number 112-89-0, it is also named as N-Octadecyl Bromide. The product's categories are Alkyl Bromides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it is a yellowish low melting solid, which should be stored in a cool and well-ventilated place.

Physical properties about Octadecane, 1-bromo- are: (1)ACD/LogP: 10.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.18; (4)ACD/LogD (pH 7.4): 10.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8231422.5; (8)ACD/KOC (pH 7.4): 8231422.5; (9)#Freely Rotating Bonds: 16; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 93.17 cm3; (12)Molar Volume: 338.8 cm3; (13)Polarizability: 36.93×10-24cm3; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 0.983 g/cm3; (16)Flash Point: 150.7 °C; (17)Enthalpy of Vaporization: 59.28 kJ/mol; (18)Boiling Point: 370.2 °C at 760 mmHg; (19)Vapour Pressure: 2.4E-05 mmHg at 25°C.

Uses of Octadecane, 1-bromo-: it can be used to produce octadecane at temperature of 110 °C. It will need reagents NaBH4, (n-Bu)3SnCl, benzo-15-crown-5 and solvent toluene.

When you are using this chemical, please be cautious about it as the following:

This chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:

(1)SMILES: BrCCCCCCCCCCCCCCCCCC

(2)InChI: InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 

(3)InChIKey: WSULSMOGMLRGKU-UHFFFAOYAU 

(4)Std. InChI: InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 

(5)Std. InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N