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| CAS No.: | 754-34-7 |
|---|---|
| Name: | PERFLUOROPROPYL IODIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C3F7I |
| Molecular Weight: | 295.926 |
| Synonyms: | Propane,heptafluoro-1-iodo- (6CI,7CI,8CI);1,1,1,2,2,3,3-Heptafluoro-3-iodopropane;1,1,2,2,3,3,3-Heptafluoro-1-iodopropane;1-Iodoheptafluoropropane;1-Iodoperfluoropropane;Heptafluoro-1-iodopropane;Heptafluoropropyl iodide;NSC 66409;Perfluoropropyl iodide;R 217I1;n-Heptafluoropropyl iodide; |
| EINECS: | 212-045-5 |
| Density: | 2.189 g/cm3 |
| Melting Point: | -95°C |
| Boiling Point: | 37.9 °C at 760 mmHg |
| Flash Point: | 3.4 °C |
| Appearance: | light red liquid |
| Hazard Symbols: |
 Xi; T
|
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 3.21180 |
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[(η5-pentamethylcyclopentadienyl)2Rh2I(μ-I)2(CH2CH2CF(CF3)2)]
- 1350458-19-3
[(η5-pentamethylcyclopentadienyl)2Rh2(μ-I)2(CH2CH2CF(CF3)2)2]*benzene-d6
- 603-35-0
triphenylphosphine
A
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
- 1349737-19-4
[(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% |
- 678-07-9
heptafluoropropyl-diiodo-phosphine
A
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
- 756-18-3
bis-heptafluoropropyl-iodo-phosphine
C
- 13455-01-1
phosphorous triiodide
| Conditions | Yield |
|---|---|
| 220°C (48 h); | A 46% B 36% C n/a |
- 105062-53-1
C3F17IO2Te2
A
- 76-19-7
freon-218
B
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
C
- 91600-26-9
C3F12OTe
| Conditions | Yield |
|---|---|
| at 115℃; for 26h; | A n/a B n/a C 30% D n/a |
- 756-18-3
bis-heptafluoropropyl-iodo-phosphine
A
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
- 678-07-9
heptafluoropropyl-diiodo-phosphine
| Conditions | Yield |
|---|---|
| 220°C (48 h); | A 16% B 2% |
| at 220℃; |
- 116-14-3
polytetrafluoroethylene
- 2314-97-8
iodotrifluoromethane
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
| Conditions | Yield |
|---|---|
| Irradiation.mit UV-Licht; | |
| photochemische Bildung; |
- 116-14-3
polytetrafluoroethylene
- 2314-97-8
iodotrifluoromethane
A
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
- 638-79-9
undecafluoro-1-iodopentane
| Conditions | Yield |
|---|---|
| UV.Irradiation; |
| Conditions | Yield |
|---|---|
| With iodine at 550 - 600℃; in der Dampfphase; |
| Conditions | Yield |
|---|---|
| at 100℃; |
- 678-07-9
heptafluoropropyl-diiodo-phosphine
A
- 754-34-7
1,1,1,2,2,3,3-heptafluoro-3-iodo-propane
B
- 756-18-3
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℃; |
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Specification
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.
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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. |