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Name |
Vinylcyclohexane |
EINECS | 211-779-3 |
CAS No. | 695-12-5 | Density | 0.865 g/cm3 |
PSA | 0.00000 | LogP | 2.75270 |
Solubility | Insoluble in water. | Melting Point |
121 °C |
Formula | C8H14 | Boiling Point | 126.9 °C at 760 mmHg |
Molecular Weight | 110.199 | Flash Point | 21.1 °C |
Transport Information | UN 3295 3/PG 2 | Appearance | clear colourless liquid |
Safety | 16 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | R11:Highly flammable.; | |
Synonyms |
Cyclohexane,vinyl- (6CI,8CI);Cyclohexylethene;Cyclohexylethylene;Ethenylcyclohexane;NSC73939;Vinylcyclohexane; |
Article Data | 113 |
1-<2-trimethylsilyl)ethyl>cyclohexanol
vinylcyclohexane
Conditions | Yield |
---|---|
With borontrifluoride acetic acid In dichloromethane at 25℃; for 0.0833333h; | 95% |
Conditions | Yield |
---|---|
With hydrogen In hexane at 20℃; under 760.051 Torr; for 14h; | 92% |
With silver(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; C19H13I2N3O2Ru; hydrogen In isopropyl alcohol at 80℃; under 3750.38 Torr; for 1h; Autoclave; Schlenk technique; chemoselective reaction; | 89% |
With hydrogen In toluene at 20℃; under 38002.6 Torr; for 12h; Autoclave; chemoselective reaction; | 72% |
Conditions | Yield |
---|---|
With trifluoroacetic anhydride | 76% |
Methylenetriphenylphosphorane
cyclohexanecarbaldehyde
A
vinylcyclohexane
B
Triphenylphosphine oxide
Conditions | Yield |
---|---|
In tetrahydrofuran 1) 2 h, reflux, 2) 12 h, r.t.; | A 68% B n/a |
Conditions | Yield |
---|---|
In 1,4-dioxane at 120℃; for 15h; Schlenk technique; Inert atmosphere; | 65% |
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile Wittig Olefination; Inert atmosphere; Glovebox; Electrochemical reaction; | 57% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 60 - 70℃; for 12h; | A 56% B 14% C 28% |
Conditions | Yield |
---|---|
Stage #1: vinylidenecyclohexane With triethylsilane; indium(III) chloride; triethyl borane In hexane; acetonitrile at 20℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride; water In hexane; acetonitrile regioselective reaction; | A 10% B 32% |
With water; diisobutylaluminium hydride 1.) hexane, 15 h, 25°C; 2.) 0°C; Multistep reaction; |
Conditions | Yield |
---|---|
In dimethyl sulfoxide Irradiation (UV/VIS); mixt. of substrate and mercurial is irradiated in nitrogen-purged solvent in Pyrex tube with 350-nm Rayonet photoreactor for 24 h; mixt. is poured into water, extd., extract is washed twice with aq. sodium thiosulfate, dried over anhyd. Na2SO4, concd.; (1)H-NMR; | 8% |
Conditions | Yield |
---|---|
With hydrogen; (η3-C3H5)Co[P(OMe)3]3 for 20.5h; Ambient temperature; | A 2.8% B 0.3% C 1.5% |
The CAS register number of Vinylcyclohexane is 695-12-5. It also can be called as Cyclohexane, vinyl- and the IUPAC name about this chemical is ethenylcyclohexane. The molecular formula about this chemical is C8H14 and the molecular weight is 110.20. Classification code about this chemical is Reproductive Effect. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about Vinylcyclohexane are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.9; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 541.15; (5)ACD/BCF (pH 7.4): 541.15; (6)ACD/KOC (pH 5.5): 3148.54; (7)ACD/KOC (pH 7.4): 3148.54 ; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 38.45 cm3; (11)Molar Volume: 127.3 cm3; (12)Polarizability: 15.24x10-24cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Flash Point: 21.1 °C; (15)Enthalpy of Vaporization: 34.96 kJ/mol; (16)Boiling Point: 126.9 °C at 760 mmHg; (17)Vapour Pressure: 13.8 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(2-trimethylsilanyl-ethyl)-cyclohexanol. This reaction will need reagent BF3*AcOH and solvent CH2Cl2. The reaction time is 5 min with reaction temperature of 25 °C. The yield is about 95%.
Uses of Vinylcyclohexane: it can be used to produce 1-cyclohexyl-ethanone at temperature of 60 ℃. This reaction will need reagent PdCl(NO2)(CH3CN)2 and solvent benzene.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C\C1CCCCC1
(2)InChI: InChI=1/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
(3)InChIKey: LDLDYFCCDKENPD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
(5)Std. InChIKey: LDLDYFCCDKENPD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 27gm/m3/2H (27000mg/m3) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 22, 1986. | |
mouse | LDLo | oral | 4gm/kg (4000mg/kg) | LIVER: FATTY LIVER DEGERATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(7), Pg. 28, 1965. |
rat | LC50 | inhalation | 20500mg/m3 (20500mg/m3) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(7), Pg. 28, 1965. |
rat | LDLo | oral | 4gm/kg (4000mg/kg) | LIVER: FATTY LIVER DEGERATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(7), Pg. 28, 1965. |