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1-Bromooctadecane

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Name

1-Bromooctadecane

EINECS 204-013-4
CAS No. 112-89-0 Density 0.983 g/cm3
PSA 0.00000 LogP 7.64280
Solubility insoluble Melting Point 25-30 °C(lit.)
Formula C18H37Br Boiling Point 370.2 °C at 760 mmHg
Molecular Weight 333.396 Flash Point 150.7 °C
Transport Information N/A Appearance yellowish low melting solid
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 112-89-0 (1-Bromooctadecane) Hazard Symbols N/A
Synonyms

NSC 5542;Octadecyl bromide;Stearyl bromide;n-Octadecyl bromide;

Article Data 23

1-Bromooctadecane Synthetic route

112-92-5

1-octadecanol

20244-61-5

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With triphenylphosphine In dichloromethane for 4h; Ambient temperature;99%
65598-00-7

1-(tert-butyldimethylsilyloxy)octadecan

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In 1,2-dichloro-ethane for 3.5h; Ambient temperature;99%
20244-61-5

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

66938-10-1

2-(octadecyloxy)tetrahydro-2H-pyran

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With triphenylphosphine In dichloromethane for 2h; Ambient temperature;98%
112-92-5

1-octadecanol

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃;97%
With Amberlite IRA 93 (PBr3 form) In diethyl ether for 6h; Ambient temperature;96%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃;96%
18748-98-6

1-octadecanol, trimethylsilyl ether

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 3h; Ambient temperature;97%
65598-06-3

Triethyl-octadecyloxy-silane

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 2h; Ambient temperature;92%
62008-64-4

thiocarbonic acid O-(4-chloro-phenyl) ester O-octadecyl ester

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With bromine
79392-43-1

trifluoroacetate 1-octadecanol

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With lithium bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 3h; Heating; Yield given;
mercury (II)-salt of/the/ nonadecanoic acid

mercury (II)-salt of/the/ nonadecanoic acid

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With tetrachloromethane; bromine
31081-59-1

1-octadecyl methanesulfonate

112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With sodium bromide

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

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