CAS No.112-89-0,1-Bromooctadecane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112-89-0
Name:	1-Bromooctadecane
Article Data:	23

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

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

Conditions	Yield
With triphenylphosphine In dichloromethane for 4h; Ambient temperature;	99%

: 65598-00-7
1-(tert-butyldimethylsilyloxy)octadecan

: 112-89-0
1-Bromooctadecane

Conditions

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%

: 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

Conditions	Yield
With triphenylphosphine In dichloromethane for 2h; Ambient temperature;	98%

: 112-92-5
1-octadecanol

: 112-89-0
1-Bromooctadecane

Conditions

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%

: 18748-98-6
1-octadecanol, trimethylsilyl ether

: 112-89-0
1-Bromooctadecane

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With bromine

: 79392-43-1
trifluoroacetate 1-octadecanol

: 112-89-0
1-Bromooctadecane

Conditions

Conditions	Yield
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

Conditions	Yield
With tetrachloromethane; bromine

: 31081-59-1
1-octadecyl methanesulfonate

: 112-89-0
1-Bromooctadecane

Conditions

Conditions	Yield
With sodium bromide

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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