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Chlorocyclohexane

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CAS:542-18-7
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Chlorocyclohexane Basic information
Product Name:Chlorocyclohexane
Synonyms:Chlorocyclohexane, typically;Chlorocyclohexane,typically;Chlorocyclohexane, 99.5%;Anti-CXCR1 (C-terminal) antibody produced in rabbit;IL8RA;3-chloro-1-cyclohexene;3-chlorocyclohexane;3-chloro-cyclohexen
CAS:542-18-7
MF:C6H11Cl
MW:118.6
EINECS:208-806-6
Product Categories:Alkyl;Building Blocks;Chemical Synthesis;Halogenated Hydrocarbons;Organic Building Blocks;CHLORO ALKANE COMPOUNDS;542-18-7
Mol File:542-18-7.mol
Chlorocyclohexane Structure
Chlorocyclohexane Chemical Properties
Melting point -44 °C (lit.)
Boiling point 142 °C (lit.)
density 1 g/mL at 25 °C (lit.)
vapor pressure 7 hPa (20 °C)
refractive index n20/D 1.462(lit.)
Fp 84 °F
storage temp. Store below +30°C.
solubility 0.40g/l
form Liquid
color Clear
explosive limit1.1-7.5%(V)
Water Solubility 0.02 g/L (20 ºC)
Merck 14,2732
BRN 1900796
Dielectric constant7.6(24℃)
InChI1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUNFUYWDGSFDHCW-UHFFFAOYSA-N
SMILESClC1CCCCC1
CAS DataBase Reference542-18-7(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexane, chloro-(542-18-7)
EPA Substance Registry SystemCyclohexane, chloro- (542-18-7)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 10-36/37/38-20
Safety Statements 26-36-37/39-16
RIDADR UN 1993 3/PG 3
WGK Germany 1
RTECS GU8685000
Autoignition Temperature290 °C
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 29035990
Storage Class3 - Flammable liquids
Hazard ClassificationsAquatic Chronic 2
Flam. Liq. 3
Hazardous Substances Data542-18-7(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 3000 mg/kg
MSDS Information
ProviderLanguage
Chlorocyclohexane English
SigmaAldrich English
ACROS English
ALFA English
Chlorocyclohexane Usage And Synthesis
Chemical Propertiesclear liquid
UsesChlorocyclohexane is used as the raw material in synthesis agrochemical and medicine chemical engineering products.
DefinitionChEBI: A chlorocyclohexane carrying a single chloro group.
Synthesis Reference(s)Journal of the American Chemical Society, 101, p. 3060, 1979 DOI: 10.1021/ja00505a038
Journal of the American Chemical Society, 97, p. 2281, 1975 DOI: 10.1021/ja00841a054
Tetrahedron, 44, p. 2785, 1988 DOI: 10.1016/S0040-4020(88)90014-2
SynthesisTake 158g of cyclohexane and add it to a four-necked flask equipped with a stirrer, a thermometer, a reflux condenser and a chlorine tube, add 0.1g of composite catalyst, place the four-necked flask in the dark, turn on the stirrer and rotate it at 100 rpm, heat it up to 60??C, and pass the chlorine gas at a rate of 0.05l/min and maintain it for 10-20min; then reduce the temperature to 40??C and increase the rate of chlorine gas passing to make 50g of chlorine gas within 4 hours. so that 50g of chlorine gas was passed in 4 hours. After the reaction material was neutralized with sodium carbonate and washed with water, it was first distilled at atmospheric pressure to obtain 101.5g of unreacted cyclohexane for the next synthesis, and then the 81-85?? fraction was collected under the vacuum degree of 0.08MPa to obtain 68.2g of chlorinated cyclohexane, and the product was analyzed by gas chromatography of HP6890 with the content of 99.65%, the cyclohexane one-way conversion rate of 35.8%, the selectivity of 88.9%, the yield of 85.5% and the yield of 85.5%. The product was analyzed by HP6890 gas chromatography, the content was 99.65%, the one-way conversion of cyclohexane was 35.8%, the selectivity was 88.9% and the yield was 85.5%.
Purification MethodsWash chlorocyclohexane several times with dilute NaHCO3, then repeatedly with distilled water. Dry it with CaCl2 and fractionally distil it slowly at atmospheric pressure or better under vacuum. [Perlman et al. J Org Chem 1 294 1937, IR: Roberts & Chambers J Am Chem Soc 73 5031 1951, Beilstein 5 H 21, 5 I 8, 5 II 11, 5 III 37, 5 IV 48.]
Tag:Chlorocyclohexane(542-18-7) Related Product Information
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