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6-Bromo-1-hexanol
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Name

6-Bromo-1-hexanol

 EINECS N/A
CAS No. 4286-55-9 Density 1.309 g/cm3
PSA 20.23000 LogP 1.93400
Solubility N/A Melting Point N/A
Formula C6H13BrO Boiling Point 198.9 °C at 760 mmHg
Molecular Weight 181.073 Flash Point 95.6 °C
Transport Information N/A Appearance colourless or light yellow liquid
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4286-55-9 (6-Bromo-1-hexanol) Hazard Symbols IrritantXi
Synonyms

6-Bromohexanol;1-Hexanol, 6-bromo-;6-bromohexan-1-ol;

Article Data 91

6-Bromo-1-hexanol Synthetic route

4224-70-8

6-bromohexanoic acid

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With dimethylsulfide borane complex100%
With dimethylsulfide borane complex In tetrahydrofuran at 0℃;98%
With borane-THF In tetrahydrofuran at 25℃; for 0.5h;94.2%
629-11-8

1,6-hexanediol

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With hydrogen bromide In water; toluene for 2h; Heating / reflux;98%
With hydrogen bromide In water; toluene at 120℃; for 72h;98%
With hydrogen bromide In benzene Heating;97%
25542-62-5

6-bromo-hexanoic acid ethyl ester

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
97%
With lithium aluminium tetrahydride In diethyl ether at -78℃; for 3h;66%
With bis(cyclopentadienyl)titanium dichloride; sodium hydroxide; n-butyllithium; Triethoxysilane 1.) THF, hexane, from -20 deg C to RT, 8 h, 2.) THF, hexane, 1 h; Yield given. Multistep reaction;
With titanium(IV) isopropylate; sodium hydroxide; Triethoxysilane 1.) heating, 6 h, 2.) THF, room temperature; Yield given. Multistep reaction;
With titanium(IV) isopropylate; sodium hydroxide; polymethylhydrosiloxane 1.) room temp., 23 h, 2.) THF, 12 h; Yield given. Multistep reaction;
148562-12-3

(6-bromohexyl)boronic acid

acetonitrile complex of hypofluorous acid

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
In dichloromethane at 20℃;93%
14273-90-6

methyl 6-bromohexanoate

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃;89%
With sodium tetrahydroborate; Li(1+)*C12H28AlO3(1-) 1) -78 deg C, 1 h 2) EtOH, -78 deg C to r.t., 1 h; Yield given. Multistep reaction;
2009-84-9

(chloro-6' hexyloxy)-2 tetrahydropyranne

A

53963-10-3

2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran

B

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With sodium bromide; 1,1-dibromomethane In N,N-dimethyl-formamide at 100℃; for 4h;A 86%
B n/a
152459-66-0

6-bromo-1-tert-amyloxy-hexane

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With t-butyldimethylsiyl triflate In dichloromethane for 24h; Ambient temperature;82%
629-11-8

1,6-hexanediol

A

629-03-8

1 ,6-dibromohexane

B

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With hydrogen bromide In toluene for 13h; Substitution; Heating;A n/a
B 79%
With hydrogen bromide In toluene for 24h; Heating;A 1%
B 69%
592-90-5

oxepane

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With dimethylboron bromide; triethylamine In dichloromethane at 0℃; for 2h;75%
With methanol; boron tribromide 1.) CH2Cl2, reflux, 1 h, 2.) reflux, 1 h; Yield given. Multistep reaction;
129368-70-3

(6-bromohexyloxy)-tert-butyldimethylsilane

4286-55-9

1-bromo-6-hexanol

Conditions
ConditionsYield
With methanol; 2-Chloroethyl chloroformate65%

6-Bromo-1-hexanol Specification

The IUPAC name of 6-Bromo-1-hexanol is 6-bromohexan-1-ol. With the CAS registry number 4286-55-9, it is also named as 1-Hexanol, 6-bromo-. The product's categories are Blocks; Bromides; omega-Bromoalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Aliphatics; Halides. It is colourless or light yellow liquid which is stable and incompatible with strong oxidizing agents, acid chlorides, acid anhydrides. Additionally, this chemical should be sealed in the container, avoided direct sunshine and stored in the well-ventilated and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.72; (6)ACD/BCF (pH 7.4): 13.72; (7)ACD/KOC (pH 5.5): 226.85; (8)ACD/KOC (pH 7.4): 226.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 39.11 cm3; (15)Molar Volume: 138.2 cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Enthalpy of Vaporization: 50.62 kJ/mol; (18)Vapour Pressure: 0.0886 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 180.014978; (21)MonoIsotopic Mass: 180.014978; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 8; (24)Complexity: 39.5.

Preparation of 6-Bromo-1-hexanol: It can be obtained by hexane-1,6-diol. This reaction needs reagent hydrobromic acid and solvents benzene and H2O. The reaction time is 72 hours. The yield is 70%.

6-Bromo-1-hexanol can be obtained by hexane-1,6-diol

Uses of 6-Bromo-1-hexanol: It can react with ethoxyethene to get 1-bromo-6-(1-ethoxy-ethoxy)-hexane. This reaction which is a kind of Addition needs reagent Cl2CHCO2H at temperature of 0 °C. The reaction time is 12 hours. The yield is 95%.

6-Bromo-1-hexanol can react with ethoxyethene to get 1-bromo-6-(1-ethoxy-ethoxy)-hexane

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:BrCCCCCCO
2. InChI:InChI=1/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
3. InChIKey:FCMCSZXRVWDVAW-UHFFFAOYAO

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