[(η5-pentamethylcyclopentadienyl)2Rh2I(μ-I)2(CH2CH2CF(CF3)2)]
[(η5-pentamethylcyclopentadienyl)2Rh2(μ-I)2(CH2CH2CF(CF3)2)2]*benzene-d6
triphenylphosphine
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
[(η5-pentamethylcyclopentadienyl)RhI(CH2CH2CF(CF3)2)(PPh3)]
Conditions | Yield |
---|---|
In tetrahydrofuran byproducts: CH2CH2; (N2, Schlenk technique); stirring mixt. of rhodium compds. and phosphinederiv. in THF for 5 h; evapn. in vac., chromy. (silica gel, diethyl ether/hexane (1:1)), evapn., elem. anal.; | A n/a B 86% |
heptafluoropropyl-diiodo-phosphine
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
bis-heptafluoropropyl-iodo-phosphine
C
phosphorous triiodide
Conditions | Yield |
---|---|
220°C (48 h); | A 46% B 36% C n/a |
C3F17IO2Te2
A
freon-218
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
C
C3F12OTe
Conditions | Yield |
---|---|
at 115℃; for 26h; | A n/a B n/a C 30% D n/a |
bis-heptafluoropropyl-iodo-phosphine
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
heptafluoropropyl-diiodo-phosphine
Conditions | Yield |
---|---|
220°C (48 h); | A 16% B 2% |
at 220℃; |
polytetrafluoroethylene
iodotrifluoromethane
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
Irradiation.mit UV-Licht; | |
photochemische Bildung; |
polytetrafluoroethylene
iodotrifluoromethane
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
undecafluoro-1-iodopentane
Conditions | Yield |
---|---|
UV.Irradiation; |
Conditions | Yield |
---|---|
With iodine at 550 - 600℃; in der Dampfphase; |
Conditions | Yield |
---|---|
at 100℃; |
heptafluoropropyl-diiodo-phosphine
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
bis-heptafluoropropyl-iodo-phosphine
Conditions | Yield |
---|---|
at 220℃; |
Conditions | Yield |
---|---|
With iodine at 100℃; | |
With air; iodine at 150 - 160℃; | |
With Perfluorotributylamine; iodine at 115℃; |
Conditions | Yield |
---|---|
With iodine In gas at 560 - 700℃; under 30 - 300 Torr; Equilibrium constant; |
perfluoropropylene
iodotrifluoromethane
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
perfluoroisobutylene
C
perfluoroisopropyl iodide
D
2-trifluoromethyl-perfluoropropyl iodide
E
perfluoro-tert-butyl iodide
Conditions | Yield |
---|---|
at 360℃; Product distribution; nickel reactor; other temperatures, influence of reactor material; |
Perfluoro(1-propoxyethyl) iodide
A
trifluoroacetyl fluoride
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
at 250℃; under 7500.6 Torr; Pyrex tube; |
C8H19O2P*C3F7I
A
diisopropyl ethylphosphonite
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
In octane at 19.9℃; Equilibrium constant; other temperatures; ΔH; ΔS; ΔG; |
C8H19O2P*C3F7I
A
dipropyl ethylphosphonite
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
In octane at 19.9℃; Equilibrium constant; other temperatures; ΔH; ΔS; ΔG; |
C10H23O2P*C3F7I
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
Diisobutoxy-ethylphosphin
Conditions | Yield |
---|---|
In octane at 19.9℃; Equilibrium constant; other temperatures; ΔH; ΔS; ΔG; |
C10H23O2P*C3F7I
A
dibutyl ethylphosphonite
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
In octane at 19.9℃; Equilibrium constant; other temperatures; ΔH; ΔS; ΔG; |
heptafluoropropyl-difluoro-λ3-iodane
1-Phenyl-2-(trimethylsilyl)acetylene
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
1-iodo-2-phenylethyne
C
1,4-diphenyl-1,3-butadiyne
D
3,3,4,4,5,5,5-heptafluoro-1-phenyl-1-pentyne
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether In dichloromethane at 20℃; for 0.5h; |
heptafluorobutyric Acid
iodine
A
perfluoropropylene
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
at 260℃; Reaktion des Natrium-Salzes; |
heptafluoro-butyryl iodide
iodine
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
at 600℃; |
Conditions | Yield |
---|---|
With iodine In gas at 560 - 700℃; under 30 - 300 Torr; Equilibrium constant; |
polytetrafluoroethylene
iodotrifluoromethane
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
im UV-Licht.Irradiation; | |
at 220℃; |
polytetrafluoroethylene
iodotrifluoromethane
A
Pentafluoroethyl iodide
B
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
C
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane
D
undecafluoro-1-iodopentane
E
n-perfluorohexyl iodide
F
perfluoroheptyl iodide
Conditions | Yield |
---|---|
In gas Product distribution; Quantum yield; Thermodynamic data; Irradiation; pulsed CO2 laser; release of reaction enthalpy, selectivity depending on pressure and temperature; |
polytetrafluoroethylene
iodotrifluoromethane
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
perfluoroisopropyl iodide
Conditions | Yield |
---|---|
With aluminum chlorofluoride at 25 - 30℃; for 16h; Addition; Title compound not separated from byproducts; |
perfluoro(propyl vinyl ether)
difluorodiiodomethane
A
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
2,2,3,3-Tetrafluoro-3-iodo-propionyl fluoride
Conditions | Yield |
---|---|
at 185℃; for 3.5h; Title compound not separated from byproducts; |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1,1,1,2,2,3,3-heptafluoro-8-phenyloctan-4-one
Conditions | Yield |
---|---|
Stage #1: 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane; 5-phenylpentanoic acid-methoxy-methyl-amide With methyllithium lithium bromide In diethyl ether at -78℃; for 1.5h; Stage #2: With potassium hydrogensulfate In diethyl ether; water pH=5.0; | 99% |
With methyllithium lithium bromide In diethyl ether at -78℃; for 1.5h; Product distribution / selectivity; | 99% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1-vinylsilatrane
1-(2-perfluoropropyl-1-iodoethyl)silatrane
Conditions | Yield |
---|---|
In chloroform for 3h; Irradiation; | 98.1% |
In chloroform for 3h; Irradiation; | 98% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
trifluoroacetic anhydride
heptafluoropropyliodine bis(trifluoroacetate)
Conditions | Yield |
---|---|
With dihydrogen peroxide In trifluoroacetic acid for 17h; Ambient temperature; | 98% |
With dihydrogen peroxide | |
With dihydrogen peroxide; trifluoroacetic acid |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
4-methoxycarbonylaminothiophenol
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 21 - 22℃; for 0.5h; | 98% |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 6h; Irradiation; | 98% |
CH2CHCH2Ge(O(CH2)2)3N
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1-iodogermatrane
Conditions | Yield |
---|---|
In dichloromethane Irradiation (UV/VIS); mixt. irradiation (5 min, 20°C, vac.); (1)H-NMR spectroscopy; | 97% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1-naphthaldehyde
2,2,3,3,4,4,4-heptafluoro-1-(1-naphthyl)-1-hydroxybutane
Conditions | Yield |
---|---|
Stage #1: 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane With zirconocene dichloride; butyl magnesium bromide In 1,4-dioxane; diethyl ether at -78℃; for 1h; Inert atmosphere; Stage #2: 1-naphthaldehyde In 1,4-dioxane; diethyl ether at 20℃; for 1h; Inert atmosphere; chemoselective reaction; | 97% |
Stage #1: 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane With zirconocene dichloride; 1-propylmagnesium chloride In 1,4-dioxane; diethyl ether at -78 - 0℃; for 1h; Stage #2: 1-naphthaldehyde In 1,4-dioxane; diethyl ether at 20℃; for 2h; Reagent/catalyst; Temperature; | 97% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
With ammonium cerium (IV) nitrate; 2,2'-azobis(isobutyronitrile); silver trifluoroacetate; 2-iodo-1-methoxyethane; 2,3-butane diamine; N-fluorobis(benzenesulfon)imide at 90℃; for 5h; Reagent/catalyst; | 96.5% |
With 2,2'-azobis(isobutyronitrile); di-tert-butyl peroxide In acetonitrile at 105℃; for 12h; | 75% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
trichlorovinylstannane
bis(perfluoropropyl)vinyltin chloride
Conditions | Yield |
---|---|
With isopropylmagnesium chloride In diethyl ether byproducts: i-PrI; Ar-atmosphere; treatment of C3F7I with i-PrMgCl, slow addn. of Sn-compd.(-70°C), stirring at -40°C for 2 h, warming to room temp. overnight; distn. (reduced pressure); elem. anal.; | 96% |
1-hexene
1-methyl-2(1H)-quinoxalinone
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1-methyl-pyrrolidin-2-one at 25℃; for 16h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation; | 96% |
Conditions | Yield |
---|---|
at 25 - 30℃; for 6h; Irradiation; | 95% |
Conditions | Yield |
---|---|
In hexane byproducts: C2H5I, ZnI2; dry N2 atm.; cooling (-78°C), stirring (-20°C, 3 h), heating (room temp., 15 min); evapn. (vac.); elem. anal.; | 95% |
1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
diethylzinc
Conditions | Yield |
---|---|
In hexane at -60 - -20℃; for 48h; Inert atmosphere; | 95% |
In hexane; toluene at -35 - -5℃; for 24h; Inert atmosphere; | 93% |
In hexane; toluene at -41 - -5℃; for 12h; Inert atmosphere; | 92% |
oct-1-ene
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1,1,1,2,2,3,3-heptafluoro-5-iodoundecane
Conditions | Yield |
---|---|
With silver(I) acetate; tin(ll) chloride In methanol Ambient temperature; | 94% |
With ethanolamine; copper(l) chloride; copper dichloride In tert-butyl alcohol for 24h; Heating; |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
A
C3F17IO2Te2
Conditions | Yield |
---|---|
With ClOTeF5 at 25℃; for 72h; | A 94% B n/a |
Allylbenzylamine
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
carbon dioxide
Conditions | Yield |
---|---|
Stage #1: Allylbenzylamine; carbon dioxide With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃; for 2h; Autoclave; Stage #2: 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane In acetonitrile at 20℃; under 750.075 Torr; for 12h; Autoclave; Irradiation; | 94% |
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; ascorbic acid In dimethyl sulfoxide at 23 - 25℃; for 2h; Inert atmosphere; Irradiation; | 94% |
antimony
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
bis-heptafluoropropyl-iodo-phosphine
A
Tris(heptafluor-n-propyl)phosphan
B
antimony triiodide
Conditions | Yield |
---|---|
230°C (16 h); | A 93% B n/a |
230°C (16 h); | A 93% B n/a |
1,2-bis(heptafluoropropyl)-1,2-bis(trifluoromethyl)diphosphine
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
A
Trifluormethyl-bis(heptafluor-n-propyl)phosphan
B
trifluoromethyl(heptafluoro-n-propyl)iodophosphine
Conditions | Yield |
---|---|
Irradiation (UV/VIS); 16°C, 1 h; | A 93% B n/a |
Irradiation (UV/VIS); 16°C, 1 h; | A 93% B n/a |
167°C in dark; |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Ir(CO)(PPh3)(2,4-pentanedionato)
A
Ir(CO)(PPh3)(2,4-pentanedionato)(CF2CF2CF3)(I)
Conditions | Yield |
---|---|
In dichloromethane (N2) to soln. Ir complex in CH2Cl2 n-C3F7I was added at 0°C; solvent was removed in vacuo, residue was recrystd. from hexane-ether; elem. anal.; | A n/a B 93% |
1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
diethylzinc
Conditions | Yield |
---|---|
In hexane; toluene at -35 - -5℃; for 24h; Inert atmosphere; | 93% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
benzoic acid hex-5-enyl ester
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; tri-(9-anthryl)borane In acetonitrile at 20℃; for 6h; Inert atmosphere; Irradiation; | 93% |
homoalylic alcohol
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
1H,1H,2H,2H,3H,4H,4H-heptafluoro-3-iodohepta-1-ol
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In hexane at 4 - 20℃; for 2h; Inert atmosphere; | 92% |
With tetrakis(triphenylphosphine) palladium(0) In hexane at 4 - 20℃; for 2h; Inert atmosphere; | 92% |
tetrakis(triphenylphosphine) palladium(0) In hexane Ambient temperature; | 65% |
With pyridine; triiron dodecarbonyl at 60℃; for 2h; | 85 % Chromat. |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
trimethylbismuthine
A
Dimethyl-heptafluorpropyl-wismut
B
Methyl-bis-heptafluorpropyl-wismut
Conditions | Yield |
---|---|
100°C (12 h); | A 92% B 8% |
100°C (12 h); | A 92% B 8% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
3,3-diallyl-1,5-dioxa-spiro[5.5]undecane-2,4-dione
C18H20F7IO4
Conditions | Yield |
---|---|
With sodium dithionite; sodium carbonate In water; acetonitrile at 0℃; for 3h; | 92% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
Conditions | Yield |
---|---|
In dichloromethane at 35℃; for 120h; Darkness; | 92% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; tri-(9-anthryl)borane In acetonitrile at 20℃; for 6h; Inert atmosphere; Irradiation; | 92% |
Conditions | Yield |
---|---|
With pyrrolidine; Diphenylacetaldehyde In dichloromethane at 20℃; for 16h; Inert atmosphere; Irradiation; | 92% |
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
ethanolamine
ethenyltrimethylsilane
(1-iodo-3,3,4,4,5,5,5-heptafluoropentyl)trimethylsilane
Conditions | Yield |
---|---|
In ethanol | 91% |
copper(I) chloride | 2% |
With iron(III) chloride |
The Propane,1,1,1,2,2,3,3-heptafluoro-3-iodo- with CAS registry number of 754-34-7 is also called Perfluoropropyl iodide and n-Heptafluoropropyl iodide. It belongs to categories of Organic Fluorides. Both systematic name and IUPAC name are the same which is called 1,1,1,2,2,3,3-heptafluoro-3-iodopropane. Its EINECS registry number is 212-045-5.
Physical properties about this chemical are: (1) ACD/LogP: 4.31; (2) ACD/LogD (pH 5.5): 4.31; (3) ACD/LogD (pH 7.4): 4.31; (4) ACD/BCF (pH 5.5): 1107.2; (5) ACD/BCF (pH 7.4): 1107.2; (6) ACD/KOC (pH 5.5): 5256.01; (7) ACD/KOC (pH 7.4): 5256.01; (8) #Freely Rotating Bonds: 1; (9) Index of Refraction: 1.361; (10) Molar Refractivity: 29.96 cm3; (11) Molar Volume: 135.1 cm3 ; (12) Polarizability: 11.87×10-24 cm3; (13) Surface Tension: 17.7 dyne/cm; (14) Density: 2.189 g/cm3; (15) Flash Point: 3.4 °C; (16) Enthalpy of Vaporization: 27.09 kJ/mol; (17) Boiling Point: 37.9 °C at 760 mmHg; (18) Vapour Pressure: 478 mmHg at 25°C; (19) Melting Point: -95 °C; (20) Storage temp. : 2-8 °C; (21) Sensitive: Light Sensitive; (22) Stability: Stable. Incompatible with strong oxidizing agents.
Preparation of Propane,1,1,1,2,2,3,3-heptafluoro-3-iodo- : this chemical is prepared by C3F17IO2Te2.
This reaction needs the temperature of 115 °C, and the reaction time is 26 hours. The yield is 30%.
Uses of Propane,1,1,1,2,2,3,3-heptafluoro-3-iodo-: it is used to produce other chemicals. For example, it is used to produce 1H,2H-heptafluoro-1-iodo-pent-1-ene.
This reaction will occur at temperature of 200 °C for 6 hours and other condition of steel cylinder. The yield is 76%.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Avoid contact with skin and eyes. And do not breathe vapour.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(F)(F)C(F)(F)ICopyCopied;
(2) InChI: InChI=1/C3F7I/c4-1(5,2(6,7)8)3(9,10)11;
(3) InChIKey: XTGYEAXBNRVNQU-UHFFFAOYAV;
(4) Std. InChI: InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11;
(5) Std. InChIKey: XTGYEAXBNRVNQU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
mouse | LC50 | inhalation | 404gm/m3/2H (404000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 76, 1982. |
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