| Identification | More | [Name]
Chlorocyclohexane | [CAS]
542-18-7 | [Synonyms]
CC
CHLOROCYCLOHEXANE
CYCLOHEXYL CHLORIDE
3-chloro-1-cyclohexene
3-chlorocyclohexane
3-chloro-cyclohexen
3-cyclohexenylchloride
Chlorcyclohexan
Chlor-cyclohexan(FormI)
cyclohexane,chloro-
Cyclohexylchlorid
Monochlorocyclohexane
Chlorocyclohexane,typically98%
CHLOROHEXAMETHYLENE
CHLORHEXAMETHYLENE
Chlorocyclohexane, typically 98%
Hexahydrochlorobenzene | [EINECS(EC#)]
208-806-6 | [Molecular Formula]
C6H11Cl | [MDL Number]
MFCD00003822 | [Molecular Weight]
118.6 | [MOL File]
542-18-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear liquid | [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. ]
Flammables area | [solubility ]
0.40g/l | [form ]
Liquid | [color ]
Clear | [explosive limit]
1.1-7.5%(V) | [Water Solubility ]
0.02 g/L (20 ºC) | [Merck ]
14,2732 | [BRN ]
1900796 | [Henry's Law Constant]
2.8×10-3 mol/(m3Pa) at 25℃, Bakierowska and Trzeszczy\'nski (2003) | [Dielectric constant]
7.6（24℃） | [InChI]
1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2 | [InChIKey]
UNFUYWDGSFDHCW-UHFFFAOYSA-N | [SMILES]
ClC1CCCCC1 | [CAS DataBase Reference]
542-18-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Cyclohexane, chloro-(542-18-7) | [EPA Substance Registry System]
Cyclohexane, chloro- (542-18-7) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H226-H411 | [Precautionary statements ]
P210-P273 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20:Harmful by inhalation. | [Safety Statements ]
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-No smoking . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
GU8685000
| [Autoignition Temperature]
290 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29035990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Aquatic Chronic 2
Flam. Liq. 3 | [Hazardous Substances Data]
542-18-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 3000 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
clear liquid | [Uses]
Chlorocyclohexane is used as the raw material in synthesis agrochemical and medicine chemical engineering products. | [Definition]
ChEBI: 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 | [Synthesis]
Take 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 rp | [Purification Methods]
Wash 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.] |
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