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Heptafluoro-1-iodopropane
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Name

Heptafluoro-1-iodopropane

 EINECS 212-045-5
CAS No. 754-34-7 Density 2.189 g/cm3
PSA 0.00000 LogP 3.21180
Solubility N/A Melting Point -95°C
Formula C3F7I Boiling Point 37.9 °C at 760 mmHg
Molecular Weight 295.926 Flash Point 3.4 °C
Transport Information N/A Appearance light red liquid
Safety 23-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 754-34-7 (PERFLUOROPROPYL IODIDE) Hazard Symbols IrritantXi;ToxicT
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;

Article Data 26

Heptafluoro-1-iodopropane Synthetic route

1349736-92-0

[(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
ConditionsYield
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
ConditionsYield
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

D

TeF6

TeF6

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
UV.Irradiation;
375-18-8

heptafluoro-butyryl iodide

754-34-7

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

Conditions
ConditionsYield
With iodine at 550 - 600℃; in der Dampfphase;
377-51-5

heptafluoro-butyric acid iodoamide

754-34-7

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

Conditions
ConditionsYield
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
ConditionsYield
at 220℃;
3794-64-7

silver heptafluorobutyrate

754-34-7

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

Conditions
ConditionsYield
With iodine at 100℃;
With air; iodine at 150 - 160℃;
With Perfluorotributylamine; iodine at 115℃;

Heptafluoro-1-iodopropane 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.

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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