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CAS No.: | 542-18-7 |
---|---|
Name: | Chlorocyclohexane |
Article Data: | 304 |
Molecular Structure: | |
Formula: | C6H11Cl |
Molecular Weight: | 118.606 |
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; |
EINECS: | 208-806-6 |
Density: | 1 g/mL at 25 °C(lit.) |
Melting Point: | - 44 °C |
Boiling Point: | 142 °C at 760 mmHg |
Flash Point: | 28.9 °C |
Solubility: | 0.02 g/L (20 ºC) |
Appearance: | clear liquid |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 10-36/37/38-20 |
Safety: | 26-36-37/39-16 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.55790 |
nonafluoro-tert-butanesulfenyl chloride
cyclohexane
A
nonafluoro-tert-butanethiol
B
cyclohexyl chloride
Conditions | Yield |
---|---|
A 100% B 100% | |
A 100% B 100% |
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% |
Conditions | Yield |
---|---|
With bismuth(III) chloride In 1,2-dichloro-ethane for 0.25h; Heating; | 98% |
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% |
cyclohexane
dichlorofluoromethanesulphenyl chloride
A
cyclohexyl chloride
B
bis(dichlorofluoromethyl)disulfane
C
Dichlorfluormethyl-cyclohexylsulfid
Conditions | Yield |
---|---|
A 63.6% B 97% C 3% | |
A 63.6% B 97% C 3% |
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% |
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. |
Conditions | Yield |
---|---|
With CPT | A n/a B 90% |
chlorodifluoromethansulfenylchloride
cyclohexane
A
cyclohexyl chloride
B
bis(chlorodifluoromethyl)disulfane
C
(Chloro-difluoro-methylsulfanyl)-cyclohexane
D
benzyl chloro-difluoromethyl sulfide
Conditions | Yield |
---|---|
A 39.4% B 88.4% C 11.6% D 65% | |
A 39.4% B 88.4% C 11.6% D 65% |
cyclohexyl chloride
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; tetrachloromethane In water; tert-butyl alcohol for 4h; Irradiation; | 86% |
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 (CAS NO.542-18-7) is used as pharmaceutical intermediates. It is also used in organic synthesis.
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. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xi, 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 (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.