Conditions | Yield |
---|---|
Stage #1: 1,6-hexanediol With N,N-dimethylthiourea In dichloromethane at 20℃; Stage #2: With N-chloro-succinimide In dichloromethane at 20℃; for 1h; Irradiation; | 98% |
With hydrogenchloride; ammonium chloride In water at 50 - 110℃; for 3h; Reagent/catalyst; | 96% |
With thionyl chloride; Triphenylphosphine oxide at 20 - 80℃; for 3h; | 87% |
Conditions | Yield |
---|---|
With hexabutylguanidinium chloride at 120℃; for 4h; | 93% |
3-(phenylsulfonyl)propyl chloride
A
1-Chloropropane
B
(cyclopropylsulfonyl)benzene
C
1,6-dichlorohexane
Conditions | Yield |
---|---|
With sodium amalgam In benzene for 6h; Heating; | A 17% B 53% C 13% |
Conditions | Yield |
---|---|
With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism; | A 48% B 39% |
With hydrogenchloride at 92 - 96℃; | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With nitrosylchloride |
Conditions | Yield |
---|---|
With phosphorus pentachloride Destillieren der erhaeltlichen Verbindung; |
1-Chlorohexane
A
1,5-dichloro-hexane
B
1,3-dichlorohexane
C
1,4-dichlorohexane
D
1,6-dichlorohexane
Conditions | Yield |
---|---|
With chlorine Further byproducts given; | |
With sulfuryl dichloride; dibenzoyl peroxide at 90℃; Further byproducts given; | |
With sulfuryl dichloride; dibenzoyl peroxide Further byproducts given; |
1-Chlorohexane
A
1,5-dichloro-hexane
B
1,2-dichlorohexane
C
1,3-dichlorohexane
D
1,4-dichlorohexane
E
1,1-dichloro-n-hexane
F
1,6-dichlorohexane
Conditions | Yield |
---|---|
With N-chloropiperidine; 2,2'-azobis(isobutyronitrile) In trifluoroacetic acid at 30℃; Product distribution; Rate constant; Irradiation; relative rate constants, position selectivity, substrate selectivity; | |
With chlorine In benzene at -10.1℃; Product distribution; dependence of the selectivity of chlorination on the conc. of benzene; | |
With N-chloropiperidine; 2,2'-azobis(isobutyronitrile) In trifluoroacetic acid at 30℃; for 3h; Product distribution; Rate constant; Irradiation; other objects - relative reactivities and relative rate constants for the various positions of chlorination; |
Conditions | Yield |
---|---|
With aluminium trichloride at 154℃; for 1h; Product distribution; Mechanism; var. temp.; | A 29 % Chromat. B 4 % Chromat. |
N-benzoyl-1H-hexahydroazepine
phosphorus pentachloride
1,6-dichlorohexane
Conditions | Yield |
---|---|
folgend Destillieren; |
1,6-dichlorohexane
Conditions | Yield |
---|---|
With hydrogenchloride at 165 - 175℃; |
1,6-dichlorohexane
Conditions | Yield |
---|---|
With phosphorus pentachloride |
1,6-Hexanediamine
diethyl ether
A
1,5-dichloro-hexane
B
1,6-dichlorohexane
hydrogenchloride
1,6-hexanediol
A
6-chloro-1-hexanol
B
1,6-dichlorohexane
Conditions | Yield |
---|---|
unter kontinuierlicher Extraktion mit Toluol; |
hydrogenchloride
1,6-hexanediol
A
6-chloro-1-hexanol
B
1,13-dichloro-7-oxatridecane
C
13-chloro-7-oxatridecane-1-ol
D
1,6-dichlorohexane
Conditions | Yield |
---|---|
at 92 - 96℃; weitere Produkte: 6.6'-Dihydroxy-dihexylaether und Hexamethylenglykol-bis-<6-hydroxy-hexyl>-aether; |
Conditions | Yield |
---|---|
at 165 - 175℃; im geschlossenen Rohr; |
Conditions | Yield |
---|---|
With HBGF at 120℃; for 1.5h; Title compound not separated from byproducts; | A n/a B 57 % Spectr. C n/a |
Conditions | Yield |
---|---|
With lead(IV) acetate; ammonium chloride at 20℃; for 4h; mechanical activation; | 0.92 mmol |
With lead(IV) acetate; ammonium chloride at 20℃; for 6h; mechanical activation; | 0.94 mmol |
Conditions | Yield |
---|---|
With lead(IV) acetate; ammonium chloride at 20℃; for 48h; | A 0.13 mmol B 0.60 mmol |
With lead(IV) acetate; ammonium chloride at 20℃; for 96h; | A 0.11 mmol B 0.44 mmol |
Conditions | Yield |
---|---|
With hydrogenchloride; 1-methylimidazolium chloride at 80 - 135℃; Conversion of starting material; |
1-methylimidazolium chloride
1,6-dichlorohexane
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
In tetrahydrofuran; diethyl ether drop by drop addn. of 1,6-dichlorohexane in THF over 30 min to a (c-C6H11)2SbLi soln. in ether at -45°C; mixt. treated with aq. NH4Cl, evapn. of the ether; | 98.9% |
In tetrahydrofuran; diethyl ether drop by drop addn. of 1,6-dichlorohexane in THF over 30 min to a (c-C6H11)2SbLi soln. in ether at -45°C; mixt. treated with aq. NH4Cl, evapn. of the ether; | 98.9% |
1-(4-vinylbenzyl)-1H-imidazole
1,6-dichlorohexane
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 12h; Inert atmosphere; Schlenk technique; | 98% |
Conditions | Yield |
---|---|
With calcium chloride In acetonitrile for 48h; Reflux; | 97% |
In acetonitrile at 20℃; for 24h; Reflux; | 87% |
at 70 - 100℃; for 0.025h; Microwave irradiation; | 82% |
Conditions | Yield |
---|---|
tetrabutylammomium bromide at 115℃; for 1.5h; | 96% |
3-Mercaptopropyltriethoxysilane
1,6-dichlorohexane
Conditions | Yield |
---|---|
Stage #1: 3-Mercaptopropyltriethoxysilane With sodium ethanolate In ethanol at 20℃; for 3h; Reflux; Stage #2: 1,6-dichlorohexane In ethanol at 80℃; for 3.5h; Reflux; | A 95% B 5% |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium hydroxide for 6h; Reflux; | 93.4% |
1,6-dichlorohexane
Conditions | Yield |
---|---|
With sodium hydroxide; sodium thiosulfate In water for 9h; pH=7.1 - 7.3; Product distribution / selectivity; Heating / reflux; | 93.3% |
With sodium hydroxide; sodium thiosulfate In water for 9h; pH=7.2 - 10.0; Product distribution / selectivity; Heating / reflux; | 93.3% |
With sodium hydroxide; sodium thiosulfate In water for 9h; pH=4.9 - 5.1; Product distribution / selectivity; Heating / reflux; | 91.4% |
1-(2,6-diisopropylphenyl)-1H-imidazole
1,6-dichlorohexane
Conditions | Yield |
---|---|
at 140℃; for 24h; | 93% |
at 140℃; for 6h; neat (no solvent); | 72% |
1,6-dichlorohexane
8-hydroxy-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium hydroxide for 6h; Reflux; | 93% |
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide Reflux; | 90% |
With potassium carbonate In N,N-dimethyl-formamide for 12h; Reflux; Inert atmosphere; | 83% |
Conditions | Yield |
---|---|
In cyclohexane for 8h; Reflux; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
Stage #1: indole With sodium hydroxide In dimethyl sulfoxide Stage #2: 1,6-dichlorohexane In dimethyl sulfoxide at 20℃; for 3h; Further stages.; | 92% |
Conditions | Yield |
---|---|
In toluene for 24h; Reflux; | 92% |
sodium dibenzyldithiocarbamate
1,6-dichlorohexane
Conditions | Yield |
---|---|
With potassium iodide for 4h; Reagent/catalyst; Reflux; | 91.8% |
sodium dibenzyldithiocarbamate
1,6-dichlorohexane
Conditions | Yield |
---|---|
Stage #1: 1,6-dichlorohexane With sodium hydroxide; sodium thiosulfate In water for 9h; pH=7.1 - 7.3; Heating / reflux; Stage #2: sodium dibenzyldithiocarbamate With formaldehyd; sodium hydrogencarbonate In water; toluene at 22 - 23℃; for 23h; Product distribution / selectivity; | 91% |
sodium dibenzyldithiocarbamate
1,6-dichlorohexane
Conditions | Yield |
---|---|
Stage #1: sodium thiosulfate; 1,6-dichlorohexane With sodium hydroxide In water for 9h; pH=7.2; Heating / reflux; Stage #2: sodium dibenzyldithiocarbamate With formaldehyd; sodium hydrogencarbonate In water; toluene at 20 - 23℃; for 23h; pH=~ 8.3 - ~ 10.7; Product distribution / selectivity; | 91% |
sodium diphenylphosphide
1,6-dichlorohexane
(6-chlorohexyl)diphenylphosphane
Conditions | Yield |
---|---|
In tetrahydrofuran; toluene at -40℃; 5 hour's addition; | 90.6% |
Conditions | Yield |
---|---|
With sodium hydroxide Heating; | 90% |
Conditions | Yield |
---|---|
With sodium hydroxide Heating; | 90% |
3-Mercaptopropyltriethoxysilane
1,6-dichlorohexane
Conditions | Yield |
---|---|
Stage #1: 3-Mercaptopropyltriethoxysilane With sodium ethanolate In ethanol at 20℃; for 3h; Reflux; Stage #2: 1,6-dichlorohexane In ethanol at 80℃; for 3.5h; Reflux; | 89% |
Stage #1: 3-Mercaptopropyltriethoxysilane With sodium ethanolate In ethanol at 20℃; for 3h; Reflux; Stage #2: 1,6-dichlorohexane In ethanol at 80℃; for 3.5h; Reflux; | 89% |
Stage #1: 3-Mercaptopropyltriethoxysilane With sodium ethanolate In ethanol at 80℃; for 3h; Stage #2: 1,6-dichlorohexane In ethanol at 80℃; for 5h; |
3-Mercaptopropyltriethoxysilane
1,6-dichlorohexane
Conditions | Yield |
---|---|
Stage #1: 3-Mercaptopropyltriethoxysilane With sodium ethanolate In ethanol at 35℃; for 2h; Reflux; Stage #2: 1,6-dichlorohexane In ethanol at 80℃; for 4.5h; Reflux; | 88% |
Stage #1: 3-Mercaptopropyltriethoxysilane With ethanol; sodium ethanolate for 2h; Reflux; Stage #2: 1,6-dichlorohexane at 80℃; for 4.5h; Reflux; | 88% |
S,S-dimethyl dithiocarbonate
1,6-dichlorohexane
6-chloro-1-methylsulfanylhexane
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium hydroxide In water for 0.5h; Reflux; | 87% |
Conditions | Yield |
---|---|
In isopropyl alcohol for 16h; Reflux; | 87% |
3,5-dimethyl-1H-pyrazole
1,6-dichlorohexane
1,1'-(hexane-1,6-diyl)-bis(3,5-dimethyl-1H-pyrazole)
Conditions | Yield |
---|---|
Stage #1: 3,5-dimethyl-1H-pyrazole With potassium hydroxide In dimethyl sulfoxide at 20 - 22℃; for 0.333333h; Stage #2: 1,6-dichlorohexane In dimethyl sulfoxide at 20 - 30℃; | 84% |
Conditions | Yield |
---|---|
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate for 16h; Heating; | 82% |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 24h; | 82% |
1,6-dichlorohexane
Conditions | Yield |
---|---|
With nickel; triethylamine at 100℃; for 12h; Autoclave; Inert atmosphere; | 82% |
Conditions | Yield |
---|---|
In isopropyl alcohol for 16h; Reflux; | 81% |
Molecular Structure of Hexane,1,6-dichloro- (CAS NO.2163-00-0):
IUPAC Name: 1,6-dichlorohexane
Empirical Formula: C6H12Cl2
Molecular Weight: 155.0655
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 0 Å2
Index of Refraction: 1.438
Molar Refractivity: 39.54 cm3
Molar Volume: 150.3 cm3
Surface Tension: 28.6 dyne/cm
Density: 1.031 g/cm3
Flash Point: 73.9 °C
Enthalpy of Vaporization: 42.22 kJ/mol
Boiling Point: 204 °C at 760 mmHg
Vapour Pressure: 0.385 mmHg at 25°C
Melting point: -13 °C
Water Solubility: sparingly soluble
BRN: 773673
InChI
InChI=1/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
Smiles
C(CCCCl)CCCl
EINECS: 218-491-7
Product Categories: Industrial/Fine Chemicals; alpha,omega-Bifunctional Alkanes; alpha,omega-Dichloroalkanes; Monofunctional & alpha,omega-Bifunctional Alkanes
Hazard Codes: Xi
Risk Statements: 36/37/38-53
R36/37/38:Irritating to eyes, respiratory system and skin.
R53:May cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36-61-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 3082 9/PG 3
WGK Germany: 1
HazardClass: 9
PackingGroup: III
HS Code: 29031980
Hexane,1,6-dichloro- , with CAS number of 2163-00-0, can be called 1,6-Dichlorohexane . Hexane,1,6-dichloro- (CAS NO.2163-00-0) is a clear colourless liquid, being incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals and epoxides. When involved in fire it will irritating vapors and toxic gases, such as hydrogen chloride and carbon monoxide, even exposure can cause irritation of eyes, nose and throat. It is an important chemical raw material, can be used in organic synthesis.
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