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Name	1,6-Dichlorohexane	EINECS	218-491-7
CAS No.	2163-00-0	Density	1.031 g/cm³
PSA	0.00000	LogP	3.02440
Solubility	Sparingly soluble in water	Melting Point	-13 °C
Formula	C₆H₁₂Cl₂	Boiling Point	204 °C at 760 mmHg
Molecular Weight	155.067	Flash Point	73.9 °C
Transport Information	UN 3082 9/PG 3	Appearance	Clear colourless liquid
Safety	26-36-61-37/39	Risk Codes	36/37/38-53
Molecular Structure		Hazard Symbols	Xi
Synonyms	NSC 60700;	Article Data	45

1,6-Dichlorohexane Synthetic route

: 629-11-8
1,6-hexanediol

: 2163-00-0
1,6-dichlorohexane

Conditions

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%

: 2916-20-3
1,6-bis-chlorocarbonyloxy-hexane

: 2163-00-0
1,6-dichlorohexane

Conditions

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

Conditions	Yield
With sodium amalgam In benzene for 6h; Heating;	A 17% B 53% C 13%

: 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

: 124-09-4
1,6-Hexanediamine

: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
With nitrosylchloride

: 5326-21-6
N,N'-dibenzoylhexane-1,6-diamine

A: 100-47-0
benzonitrile

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

Conditions

Conditions	Yield
With phosphorus pentachloride Destillieren der erhaeltlichen Verbindung;

: 75-44-5
phosgene

: 822-06-0
Hexamethylene diisocyanate

: 2163-00-0
1,6-dichlorohexane

: 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

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

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;

...Expand

: 6222-17-9
1,6-diacetoxyhexane

A: 40200-18-8
6-chloro-1-hexyl acetate

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

Conditions

Conditions	Yield
With aluminium trichloride at 154℃; for 1h; Product distribution; Mechanism; var. temp.;	A 29 % Chromat. B 4 % Chromat.

1,6-Dichlorohexane Chemical Properties

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

1,6-Dichlorohexane Safety Profile

Hazard Codes: Irritant 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

1,6-Dichlorohexane 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.

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