Products Categories
CAS No.: | 112-89-0 |
---|---|
Name: | 1-Bromooctadecane |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C18H37Br |
Molecular Weight: | 333.396 |
Synonyms: | NSC 5542;Octadecyl bromide;Stearyl bromide;n-Octadecyl bromide; |
EINECS: | 204-013-4 |
Density: | 0.983 g/cm3 |
Melting Point: | 25-30 °C(lit.) |
Boiling Point: | 370.2 °C at 760 mmHg |
Flash Point: | 150.7 °C |
Solubility: | insoluble |
Appearance: | yellowish low melting solid |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 0.00000 |
LogP: | 7.64280 |
Conditions | Yield |
---|---|
With triphenylphosphine In dichloromethane for 4h; Ambient temperature; | 99% |
1-(tert-butyldimethylsilyloxy)octadecan
1-Bromooctadecane
Conditions | Yield |
---|---|
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% |
2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one
2-(octadecyloxy)tetrahydro-2H-pyran
1-Bromooctadecane
Conditions | Yield |
---|---|
With triphenylphosphine In dichloromethane for 2h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
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% |
1-octadecanol, trimethylsilyl ether
1-Bromooctadecane
Conditions | Yield |
---|---|
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 3h; Ambient temperature; | 97% |
Triethyl-octadecyloxy-silane
1-Bromooctadecane
Conditions | Yield |
---|---|
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 2h; Ambient temperature; | 92% |
thiocarbonic acid O-(4-chloro-phenyl) ester O-octadecyl ester
1-Bromooctadecane
Conditions | Yield |
---|---|
With bromine |
trifluoroacetate 1-octadecanol
1-Bromooctadecane
Conditions | Yield |
---|---|
With lithium bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 3h; Heating; Yield given; |
1-Bromooctadecane
Conditions | Yield |
---|---|
With tetrachloromethane; bromine |
1-octadecyl methanesulfonate
1-Bromooctadecane
Conditions | Yield |
---|---|
With sodium bromide |
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