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112-71-0

Basic Information
CAS No.: 112-71-0
Name: 1-Bromotetradecane
Article Data: 18
Molecular Structure:
Molecular Structure of 112-71-0 (1-Bromotetradecane)
Formula: C14H29Br
Molecular Weight: 277.288
Synonyms: 1-Tetradecyl bromide;Myristyl bromide;NSC 83468;Tetradecyl bromide;n-Tetradecyl bromide;n-Tetradecyl-1-bromide;
EINECS: 203-999-3
Density: 0.93 g/cm3
Melting Point: 5-6 °C(lit.)
Boiling Point: 307.5 °C at 760 mmHg
Flash Point: 127.3 °C
Solubility: insoluble in water
Appearance: pale yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
PSA: 0.00000
LogP: 6.08240
Synthetic route
1120-36-1

1-tetradecene

112-71-0

1-Bromotetradecane

Conditions
ConditionsYield
With hydrogen bromide In 1,4-dioxane; hexane at 20℃; for 1h;98%
With 2,2,4-trimethylpentane; tetradecafluorohexane; bromine at 20℃; for 2h; Irradiation;94%
52756-06-6

N-tetradecyl-N'-tosylhydrazine

A

112-71-0

1-Bromotetradecane

B

6064-45-5

1,2-dibromotetradecane

C

1950-69-2

toluene-p-sulfonyl bromide

Conditions
ConditionsYield
With bromine In chloroform for 2.5h; Ambient temperature;A 52 % Chromat.
B 11 % Chromat.
C 93%
1120-36-1

1-tetradecene

A

112-71-0

1-Bromotetradecane

B

74036-95-6

2-bromotetradecane

Conditions
ConditionsYield
With acetic acid In 1,4-dioxane; 1,2-dichloro-ethaneA 10%
B 90%
112-72-1

1-Tetradecanol

112-71-0

1-Bromotetradecane

Conditions
ConditionsYield
With sulfuric acid; hydrogen bromide
With chloroform; phosphorus tribromide at 0℃; zuletzt bei 50grad;
With phosphorus; bromine bei Siedetemperatur;
67-56-1

methanol

629-73-2

1-Hexadecene

112-71-0

1-Bromotetradecane

Conditions
ConditionsYield
With FeBr3*6H2O; oxygen; ozone 1.) 0 deg C; 2.) methanol, reflux, 15 min; Yield given. Multistep reaction;
83486-04-8

C20H34Br2Te

A

112-71-0

1-Bromotetradecane

B

32294-60-3

diphenyl ditelluride

Conditions
ConditionsYield
With sodium bromide In N,N-dimethyl-formamide at 70℃; Yield given;
77774-34-6

tetradecyl tert-butyldimethylsilyl ether

1034-39-5

dibromotriphenylphosphorane

112-71-0

1-Bromotetradecane

Conditions
ConditionsYield
In dichloromethane for 0.166667h; Ambient temperature;
77953-88-9

1-Tetradecyl phenyl telluride

A

112-71-0

1-Bromotetradecane

B

sodium-compound of (+-)-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

sodium-compound of (+-)-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: bromine / CCl4 / Ambient temperature
2: sodium bromide / dimethylformamide / 70 °C
View Scheme
112-71-0

1-Bromotetradecane

603-35-0

triphenylphosphine

25791-20-2

(n-tetradecyl)triphenylphosphonium bromide

Conditions
ConditionsYield
In toluene Reflux;100%
at 140℃; for 7h;92%
In benzene for 48h; Substitution; Heating;92%
112-71-0

1-Bromotetradecane

86-51-1

2,3-dimethyoxybenzaldehyde

33597-07-8

(+/-)-1-hydroxy-1-(2.3-dimethoxy-phenyl)-pentadecane

Conditions
ConditionsYield
Stage #1: 1-Bromotetradecane With iodine; magnesium In diethyl ether
Stage #2: 2,3-dimethyoxybenzaldehyde In diethyl ether for 4h; Reflux;
100%
With lithium In tetrahydrofuran at 0℃;63%
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    Product name:1-Bromotetradecane Synonyms:Myristyl bromide;1-Tetradecyl bromide CAS No:112-71-0 Molecular formula:C14H29Br Molecular Weight:277.28 Appearance:Yellow solid or liquid Content:99.0%min Water:0.1%max Melting point :5-6°C(lit.)

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Specification

The IUPAC name of Tetradecane, 1-bromo- is 1-bromotetradecane. With the CAS registry number 112-71-0, it is also named as Myristyl bromide; 1-Tetradecyl bromide. The product's categories are alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. It is pale yellow liquid which is stable and incompatible with strong bases, strong oxidizing agents. In addition, this chemical can be obtained from tetradecyl alchohol by bromination.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1162.76; (6)ACD/BCF (pH 7.4): 1162.76; (7)ACD/KOC (pH 7.4): 5443.48; (8)#H bond acceptors: 0; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 42.21 cm3; (13)Molar Volume: 157.2 cm3; (14)Surface Tension: 28.3 dyne/cm; (15)Enthalpy of Vaporization: 39.79 kJ/mol; (16)Vapour Pressure: 1.32 mmHg at 25°C; (17)Rotatable Bond Count: 12; (18)Exact Mass: 276.145264; (19)MonoIsotopic Mass: 276.145264; (20)Heavy Atom Count: 15.

Uses: Used in organic synthesis. For example: It can react with piperazine to get 1,4-ditetradecyl-piperazine. This reaction needs reagent K2CO3 and solvent acetonitrile at temperature of 100 - 110 °C. The reaction time is 1.5 hours. The yield is 84 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure. 
1. SMILES: BrCCCCCCC;
2. InChI: InChI=1/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3.