Name: 6-Chlorohexanol
SKU: 2009-83-8

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Basic Information

Molecular Structure:
CAS No.:	2009-83-8
Name:	6-Chlorohexanol

Formula:	C₆H₁₃ClO
Molecular Weight:	136.622
Synonyms:	1-Chloro-6-hydroxyhexane;6-Chloro-1-hexanol;6-Chloro-1-hexano;Hexamethylene chlorohydrin;omega-Chlorohexanol;1-Hexanol, 6-chloro-;6-Chlorohexan-1-ol;4-01-00-01704 (Beilstein Handbook Reference);1-Chloro-6-hexanol;
EINECS:	217-925-2
Density:	1.001 g/cm³
Melting Point:	129-130ºC
Boiling Point:	212.8 °C at 760 mmHg
Flash Point:	98.9 °C
Solubility:	11.3g/L at 20℃
Appearance:	clear colorless to pale yellow liquid
Hazard Symbols:	Xn,img src=/images/Xi.gif alt=Irritant >Xi
Risk Codes:	20/21-36/38-36/37/38-20/21/22
Safety:	26-36/37-36/37/39
Transport Information:	UN 2810
PSA:	20.23000
LogP:	1.77790

Synthetic route

: 629-11-8
1,6-hexanediol

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With tetrachloromethane; hexacarbonyl molybdenum at 120℃; for 8h;	98%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide at -5 - 0℃; for 2h; Solvent; Temperature; Large scale;	95.2%
With hydrogenchloride; copper(l) chloride In toluene at 100℃; for 24h;	66%

: 59431-24-2
1-(tert-butyl-dimethylsilyloxy)-6-chloro-hexane

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With titanium tetrachloride; ethyl acetate In dichloromethane at 30℃; for 0.166667h;	94%

: 10297-06-0
1-chloro-5-hexyne

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With formic acid; F6P(1-)*C16H22N3Ru(1+); water In 1-methyl-pyrrolidin-2-one at 25℃; for 48h; Inert atmosphere; Sealed tube;	92%
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh2PytBu)2(MeCN)PF6; water In isopropyl alcohol at 80℃; for 3h; Inert atmosphere; regioselective reaction;	85%
With [2,2]bipyridinyl; formic acid; (η5-cyclopentadienyl) (η6-naphthalene)ruthenium hexafluorophosphate; water In tetrahydrofuran at 55℃; for 48h;	80%
Multi-step reaction with 4 steps 1.1: n-butyllithium / hexane; diethyl ether / 1 h / -78 °C / Inert atmosphere 1.2: 6 h / 20 °C / Inert atmosphere 2.1: palladium 10% on activated carbon; hydrogen; water / methanol / 0.5 h / 20 °C / 760.05 Torr / Inert atmosphere 3.1: dichloromethane / 6 h / -20 °C / Inert atmosphere 4.1: potassium fluoride; potassium hydrogencarbonate; dihydrogen peroxide; tetrabutyl ammonium fluoride / tetrahydrofuran; water / 2 h / 40 °C View Scheme

: 629-11-8
1,6-hexanediol

A: 2009-83-8
6-chloro-1-hexanol

B: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism;	A 48% B 39%
With hydrogenchloride at 92 - 96℃;
With hydrogenchloride

: 629-11-8
1,6-hexanediol

A: 6294-17-3
1-bromo-6-chlorohexane

B: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; zinc(II) chloride	A n/a B 34%

: 4224-62-8
6-chlorohexanoic acid

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 592-90-5
oxepane

A: 2009-83-8
6-chloro-1-hexanol

B: 108291-44-7
13-chloro-7-oxatridecane-1-ol

Conditions

Conditions	Yield
With water; titanium tetrachloride 1.) 60 - 70 deg C, 24 h; Yield given. Multistep reaction. Yields of byproduct given;

: 928-89-2
6-chlorohexene

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With hydrogenchloride; dimethylsulfide borane complex; diethylzinc; oxygen; zinc dibromide; zinc 1.) ether, 2 h at 0 deg C then 8 h at r.t., 2.) hexane, 30 min at 0 deg C then 15 min, 3.) THF, perfluorohexanes, -78 deg C, 4.) ether, 3 h; Yield given. Multistep reaction;
Yield given. Multistep reaction;
With potassium tri(isopropoxy)borohydride; n-octylthexylchloroborane at 0℃;	89 % Chromat.

: 928-89-2
6-chlorohexene

A: 2009-83-8
6-chloro-1-hexanol

B: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate; dihydrogen peroxide; sodium iodide 1.) diglyme, 25 deg C, electrolysis, 2.) 25 deg C, 2 h; Yield given. Multistep reaction. Yields of byproduct given;

: chlorure de trimethylammonio-6 hexanol-1

A: 821-41-0
5-Hexen-1-ol

B: 2009-83-8
6-chloro-1-hexanol

C: 1862-07-3
6-(N,N-dimethylamino)-1-hexanol

D: 58390-19-5
6-(dimethylamino)-1-methoxyhexane

Conditions

Conditions	Yield
at 220℃; Product distribution;

...Expand

Raw Materials

629-11-8

592-90-5

4224-62-8

928-89-2

928-51-8

Downstream Products

Total:143 Page 1 of 4 1 2 3 4 Next>>

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Specification

The 6-Chlorohexanol, with the CAS registry number 2009-83-8, is also known as 1-Chloro-6-hydroxyhexane; 6-Chloro-1-hexanol; Hexamethylene chlorohydrin.It belongs to the product categories of omega-Chloroalkanols;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides;OLED materials,pharm chemical,electronic. This chemical's molecular formula is C₆H₁₃ClO and molecular weight is 136.62. Its EINECS number is 217-925-2. What's more,Its systematic name is 6-Chlorohexan-1-ol.

Physical properties about 6-Chlorohexanol are: (1)ACD/LogP: 1.754; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.67; (6)ACD/BCF (pH 7.4): 12.67; (7)ACD/KOC (pH 5.5): 214.33; (8)ACD/KOC (pH 7.4): 214.33; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 36.23 cm3; (14)Molar Volume: 136.467 cm3; (15)Surface Tension: 32.5800018310547 dyne/cm; (16)Density: 1.001 g/cm3; (17)Flash Point: 98.889 °C; (18)Enthalpy of Vaporization: 52.238 kJ/mol; (19)Boiling Point: 212.82 °C at 760 mmHg; (20)Vapour Pressure: 0.0379999987781048 mmHg at 25°C;

The 6-Chlorohexanol is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin .When you use it, wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:ClCCCCCCO;
(2)Std. InChI:InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2;
(3)Std. InChIKey:JNTPTNNCGDAGEJ-UHFFFAOYSA-N.

The toxicity data of 6-Chlorohexanol as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 100mg/kg (100mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.

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