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3-Chlorocyclohexene

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Name

3-Chlorocyclohexene

EINECS N/A
CAS No. 2441-97-6 Density 1.02g/cm3
PSA 0.00000 LogP 2.33390
Solubility N/A Melting Point N/A
Formula C6H9 Cl Boiling Point 147.5°Cat760mmHg
Molecular Weight 116.59 Flash Point 27.4°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of Cl. Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 2441-97-6 (3-CHLOROCYCLOHEXENE) Hazard Symbols N/A
Synonyms

2-Cyclohexenylchloride; 3-Chloro-1-cyclohexene; 3-Chlorocyclohexene; 3-Cyclohexenyl chloride

Article Data 74

3-Chlorocyclohexene Chemical Properties

Molecule structure of 3-Chloro-1-cyclohexene (CAS NO.2441-97-6) :

IUPAC Name: 3-chlorocyclohexene
Molecular Weight: 116.5887 g/mol
Molecular Formula: C6H9Cl
Density: 1.02 g/cm3 
Boiling Point: 147.5 °C at 760 mmHg 
Flash Point: 27.4 °C
Index of Refraction: 1.48
Molar Refractivity: 32.49 cm3
Molar Volume: 114.2 cm3
Polarizability: 12.88*10-24 cm3
Surface Tension: 28.9 dyne/cm 
Enthalpy of Vaporization: 36.86 kJ/mol
Vapour Pressure: 5.59 mmHg at 25 °C
XLogP3-AA: 2.3 
Exact Mass: 116.039278
MonoIsotopic Mass: 116.039278
Heavy Atom Count: 7
Complexity: 76.2 
Canonical SMILES: C1CC=CC(C1)Cl
InChI: InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKey: LNGQLHZIYFQUIR-UHFFFAOYSA-N

3-Chlorocyclohexene Toxicity Data With Reference

1.    

mmo-sat 40 µmol/plate

    BCPCA6    Biochemical Pharmacology. 29 (1980),2611.
2.    

mmo-sat 100 µmol/plate

    CBINA8    Chemico-Biological Interactions. 38 (1982),303.

3-Chlorocyclohexene Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of Cl.
Risk Statements: 10-36/37/38
R10: Flammable
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 1993
RTECS: GW4605000

3-Chlorocyclohexene Specification

 3-Chloro-1-cyclohexene (CAS NO.2441-97-6) is also called 3-Cyclohexenyl chloride ; 4-05-00-00230 (Beilstein Handbook Reference) ; BRN 1852114 ; Cyclohexene, 3-chloro- . 3-Chloro-1-cyclohexene (CAS NO.2441-97-6) is toxic. It will produce toxic chloride smoke by heat. So the storage environment should be ventilate, low-temperature and dry.

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