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Cas Database

Name	Chlorocyclohexane	EINECS	208-806-6
CAS No.	542-18-7	Density	1 g/mL at 25 °C(lit.)
PSA	0.00000	LogP	2.55790
Solubility	0.02 g/L (20 ºC)	Melting Point	- 44 °C
Formula	C₆H₁₁Cl	Boiling Point	142 °C at 760 mmHg
Molecular Weight	118.606	Flash Point	28.9 °C
Transport Information	UN 1993 3/PG 3	Appearance	clear liquid
Safety	26-36-37/39-16	Risk Codes	10-36/37/38-20
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	chlor-cyclohexane;4-05-00-00048 (Beilstein Handbook Reference);1/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H;cyclohexane, chloro-;Monochlorocyclohexane;Cyclohexyl Chloride;	Article Data	304

Chlorocyclohexane Synthetic route

: 32308-83-1
nonafluoro-tert-butanesulfenyl chloride

: 110-82-7
cyclohexane

A: 32308-82-0
nonafluoro-tert-butanethiol

B: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
	A 100% B 100%
	A 100% B 100%

: 108-93-0
cyclohexanol

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With bismuth(III) chloride In tetrachloromethane for 0.0833333h; Heating;	99%
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution;	92%
With triphenylphosphine; zinc(II) chloride; diethylazodicarboxylate In tetrahydrofuran for 2h; Ambient temperature;	90%

: 626-62-0
1-iodocyclohexane

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With bismuth(III) chloride In 1,2-dichloro-ethane for 0.25h; Heating;	98%

: 110-82-7
cyclohexane

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; tetrabutyl-ammonium chloride; sodium chloride In water at 20℃; for 5h; Reagent/catalyst;	97%
With hydrogenchloride; potassium chloride; tetrabutyl-ammonium chloride In water at 20℃; Irradiation; Green chemistry;	95%
With sodium hypochlorite In water; acetone at 20℃; for 2h; Reagent/catalyst; Solvent; Time; Inert atmosphere;	93%

: 110-82-7
cyclohexane

: 2712-93-8
dichlorofluoromethanesulphenyl chloride

A: 542-18-7
cyclohexyl chloride

B: 675-63-8
bis(dichlorofluoromethyl)disulfane

C: 68409-02-9
Dichlorfluormethyl-cyclohexylsulfid

Conditions

Conditions	Yield
	A 63.6% B 97% C 3%
	A 63.6% B 97% C 3%

: 110-83-8
cyclohexene

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With ethanol; trichlorovinylsilane; tin(IV) chloride for 1h; Ambient temperature;	90%
With dichloromethane; RhCl(PPh3)3	72%
With chloro-trimethyl-silane; water for 15h; Ambient temperature;	70%

: 372-46-3
fluorocyclohexane

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With hydrogenchloride at 105℃; for 3h;	90%
With boron trichloride In hexane at 0℃; for 0.0833333h;	78%
With diethylaluminium chloride In hexane at -78℃; for 0.166667h;	74 % Chromat.

: 108-93-0
cyclohexanol

A: 1499-17-8
o-phenylene chlorophosphate

B: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With CPT	A n/a B 90%

: 993-38-4
chlorodifluoromethansulfenylchloride

: 110-82-7
cyclohexane

A: 542-18-7
cyclohexyl chloride

B: 692-58-0
bis(chlorodifluoromethyl)disulfane

C: 68409-01-8
(Chloro-difluoro-methylsulfanyl)-cyclohexane

D: 68409-06-3
benzyl chloro-difluoromethyl sulfide

Conditions

Conditions	Yield
	A 39.4% B 88.4% C 11.6% D 65%
	A 39.4% B 88.4% C 11.6% D 65%

...Expand

: 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

: 542-18-7
cyclohexyl chloride

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrachloromethane In water; tert-butyl alcohol for 4h; Irradiation;	86%

Chlorocyclohexane Chemical Properties

Molecule structure of Chlorocyclohexane (CAS NO.542-18-7):

IUPAC Name: Chlorocyclohexane
Molecular Formula: C₆H₁₁Cl
Molecular Weight: 118.62 g/mol
Density: 1 g/mL at 25 °C(lit.)
Melting Point: -44 °C
Boiling Point: 142 °C at 760 mmHg
Flash Point: 28.9 °C
Storage Temp.: Flammables area
Water Solubility: 0.02 g/L (20 °C)
Index of Refraction: 1.451
Molar Refractivity: 32.58 cm³
Molar Volume: 120.9 cm³
Surface Tension: 27.7 dyne/cm
XLogP3: 3
Exact Mass: 118.054928
MonoIsotopic Mass: 118.054928
Canonical SMILES: C1CCC(CC1)Cl
InChI: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
EINECS: 208-806-6
Product Categories: CHLORO ALKANE COMPOUNDS

Chlorocyclohexane Uses

Chlorocyclohexane (CAS NO.542-18-7) is used as pharmaceutical intermediates. It is also used in organic synthesis.

Chlorocyclohexane Toxicity Data With Reference

1.		ihl-rat LCLo:31 g/m³		GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 10 (1)(1966),49.
2.		ihl-mus LC50:31 g/m³/2H		85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,36.

Chlorocyclohexane Consensus Reports

Reported in EPA TSCA Inventory.

Chlorocyclohexane Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements: 10-36/37/38-20
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20:Harmful by inhalation.
Safety Statements: 26-36-37/39-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 3
WGK Germany: 1
RTECS: GU8685000
HazardClass: 3
PackingGroup: III
HS Code: 29035990
Slightly toxic by inhalation. When heated to decomposition it emits toxic vapors of Cl⁻.

Chlorocyclohexane Specification

Chlorocyclohexane (CAS NO.542-18-7) is also named as 4-05-00-00048 (Beilstein Handbook Reference) ; AI3-23841 ; BRN 1900796 ; Cyclohexyl chloride ; HSDB 2801 ; Monochlorocyclohexane ; NSC 8434 ; Cyclohexane, chloro- . Chlorocyclohexane (CAS NO.542-18-7) is clear liquid.

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