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| CAS No.: | 2163-00-0 |
|---|---|
| Name: | 1,6-Dichlorohexane |
| Article Data: | 45 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12Cl2 |
| Molecular Weight: | 155.067 |
| Synonyms: | NSC 60700; |
| EINECS: | 218-491-7 |
| Density: | 1.031 g/cm3 |
| Melting Point: | -13 °C |
| Boiling Point: | 204 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Solubility: | Sparingly soluble in water |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-53 |
| Safety: | 26-36-61-37/39 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.02440 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
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| 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% |
- 19432-96-3
3-(phenylsulfonyl)propyl chloride
A
- 540-54-5
1-Chloropropane
B
- 17637-57-9
(cyclopropylsulfonyl)benzene
C
- 2163-00-0
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; |
- 544-10-5
1-Chlorohexane
A
- 54305-90-7
1,5-dichloro-hexane
B
- 56375-88-3
1,3-dichlorohexane
C
- 50635-35-3, 140238-71-7, 140238-72-8
1,4-dichlorohexane
D
- 2163-00-0
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; |
- 544-10-5
1-Chlorohexane
A
- 54305-90-7
1,5-dichloro-hexane
B
- 2162-92-7
1,2-dichlorohexane
C
- 56375-88-3
1,3-dichlorohexane
D
- 50635-35-3, 140238-71-7, 140238-72-8
1,4-dichlorohexane
E
- 62017-16-7
1,1-dichloro-n-hexane
F
- 2163-00-0
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. |
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Chemistry
Molecular Structure of Hexane,1,6-dichloro- (CAS NO.2163-00-0):
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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
Safety Profile
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
Specification
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.