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| CAS No.: | 4286-55-9 |
|---|---|
| Name: | 6-Bromo-1-hexanol |
| Article Data: | 91 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13BrO |
| Molecular Weight: | 181.073 |
| Synonyms: | 6-Bromohexanol;1-Hexanol, 6-bromo-;6-bromohexan-1-ol; |
| Density: | 1.309 g/cm3 |
| Boiling Point: | 198.9 °C at 760 mmHg |
| Flash Point: | 95.6 °C |
| Appearance: | colourless or light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 20.23000 |
| LogP: | 1.93400 |
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| Conditions | Yield |
|---|---|
| With dimethylsulfide borane complex | 100% |
| With dimethylsulfide borane complex In tetrahydrofuran at 0℃; | 98% |
| With borane-THF In tetrahydrofuran at 25℃; for 0.5h; | 94.2% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
- 4286-55-9
1-bromo-6-hexanol
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; | 93% |
- 14273-90-6
methyl 6-bromohexanoate
- 4286-55-9
1-bromo-6-hexanol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With t-butyldimethylsiyl triflate In dichloromethane for 24h; Ambient temperature; | 82% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With methanol; 2-Chloroethyl chloroformate | 65% |
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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%.
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%.
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