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542-18-7

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Identification

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

Appearance
clear liquid
mp 
-44 °C
Melting point 
-44 °C (lit.)
Boiling point 
142 °C (lit.)
bp 
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
InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N
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

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
HazardClass 
3
PackingGroup 
III
HS Code 
29035990
Hazardous Substances Data
542-18-7(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 3000 mg/kg

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Hazard Information

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
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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