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3-Chlorocyclohexene

3-Chlorocyclohexene structure

CAS No:
2441-97-6
Formula:
C6H9Cl
Chemical Name:
3-Chlorocyclohexene
Synonyms:
Cyclohexene,3-chloro-;3-Chlorocyclohexene;3-Chloro-1-cyclohexene;3-Cyclohexenyl chloride;2-Cyclohexenyl chloride;1-Chloro-2-cyclohexene;150850-32-1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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3-Chlorocyclohexene Basic Attributes

Molecular Weight：

116.59

Exact Mass：

116.59

HScode：

2903890090

Characteristics

PSA：

XLogP3：

2.33390

Density：

1.030 g/cm³ @ Temp: 20 °C

Boiling Point：

62 °C @ Press: 35 Torr

Flash Point：

27.4ºC

Refractive Index：

1.48

Storage Conditions：

0-10°C

Vapor Pressure：

5.59mmHg at 25°C

Flammability characteristics：

Thermal decomposition to emit toxic chloride fumes

Safety Information

Transport codes：

1993

hazard class code：

10-36/37/38

safety instructions：

26-36/37/39

RTECS Number：

GW4605000

Storage features：

The warehouse is low-temperature, ventilated and dry

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

RIDADR：

UN 1993

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	Mutation in microorganisms			40 umol/plate	--	Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 29,2611,1980
MUTATION DATA	Mutation in microorganisms			100 umol/plate	--	Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 38,303,1982

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, polar column, isothermal	Packed	Carbowax 20M	1215.	140.	isothermal	Ar, Chromosorb W; Column length: 1.5 m	Szabó, M.Jánosi, A.Gas chromatographic separation and determination of the components of competitive chlorination reaction mixtures of heptene-1 and cyclohexeneJ. Chromatogr.1979, 170, 1, 240-244.
Kovats' RI, polar column, isothermal	Capillary	OV-101	887.		temperature ramp	25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; T_start: 60. C; T_end: 240. C	Zenkevich, I.G.Eliseenkov, E.V.Kasatochkin, A.N.Chromatographic Identification of Cyclohexane Chlorination Products by an Additive Scheme for the Prediction of Retention IndicesChromatographia2009, 70, 5/6, 839-849.
Kovats' RI, polar column, isothermal	Capillary	Polydimethyl siloxanes	857.		custom temperature program	Program: not specified	Zenkevich, I.G.Eliseenkov, E.V.Kasatochkin, A.N.Application of Retention Indices in GC-MS Identification of Halogenated Organic CompoundsMass Spectromery (Rus.)2006, 3, 2, 131-140.

Computed Properties

Molecular Weight:116.59
XLogP3:2.3
Exact Mass:116.0392780
Monoisotopic Mass:116.0392780
Heavy Atom Count:7
Complexity:76.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

18424-56-1

20421-40-3

51286-79-4

7782-50-5

19024-48-7

89530-38-1

1165952-91-9