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116-15-4

Basic Information
CAS No.: 116-15-4
Name: Perfluoro-1 -propene
Article Data: 136
Molecular Structure:
Molecular Structure of 116-15-4 (Perfluoro-1 -propene)
Formula: C3F6
Molecular Weight: 150.023
Synonyms: Propene,hexafluoro- (8CI);1,1,2,3,3,3-Hexafluoro-1-propene;1,1,2,3,3,3-Hexafluoropropene;Esafluoropropene;F 1216;HFC 1216;Hexafluoro-1-propene;Hexafluoropropene;Hexafluoropropylene;PFC 1216;Perfluoro-1-propene;Perfluoropropene;Perfluoropropylene;Propylene hexafluoride;R 1216;
EINECS: 204-127-4
Density: 1.442 g/cm3
Melting Point: -153 ºC
Boiling Point: -28 ºC
Flash Point: °C
Solubility: Toxicity data
(T">

Stability

    Stable. Incompatible with alkali metals, powdered metals.

Toxicology

    Harmful if inhaled - may cause suffocation. Respiratory irritant.

    Toxicity data
    (T

Appearance: colourless gas
Hazard Symbols:
Risk Codes: R20;R37   
Safety: Mildly toxic by inhalation. Explosive reaction with Grignard reagents (e.g., phenylmagnesium bromide). Reacts with tetrafluorethylene + air to form explosive peroxides. When heated to decomposition it emits toxic fumes of F.
Transport Information: UN 1858
PSA: 0.00000
LogP: 2.62630
Synthetic route
116-14-3

polytetrafluoroethylene

116-15-4

perfluoropropylene

Conditions
ConditionsYield
With silicon carbide at 450 - 850℃; for 3.33333E-05h;96.5%
at 760 - 860℃; unter vermindertem Druck;
at 700℃; bei der thermischen Zersetzung;
423-25-6

(heptafluoro n-propyl) magnesiumiodide

A

2252-84-8

HFC-227ca

B

116-15-4

perfluoropropylene

Conditions
ConditionsYield
In further solvent(s) decomposition on boiling in dibutyl ether;;A 76%
B 6%
In further solvent(s) decomposition on boiling in dibutyl ether;;A 76%
B 6%
662-13-5

(heptafluoro i-propyl) magnesiumbromide

116-15-4

perfluoropropylene

Conditions
ConditionsYield
In diethyl ether warming from -78 to 20°C and heating under reflux, 1 hour;;70.5%
In diethyl ether warming from -78 to 20°C and heating under reflux, 1 hour;;70.5%
756-13-8

perfluoro-2-methylpentan-3-one

A

116-15-4

perfluoropropylene

B

422-61-7

perfluoropropanoyl fluoride

Conditions
ConditionsYield
With cesium fluoride at 250℃; for 2h; Product distribution;A 68%
B n/a
1526-49-4

ethyl heptafluoroisobutyrate

591-51-5

phenyllithium

A

116-15-4

perfluoropropylene

B

93-89-0

benzoic acid ethyl ester

C

56112-35-7

perfluoroisopropyl phenyl ketone

Conditions
ConditionsYield
In diethyl ether at -110℃; for 0.166667h; C6H5Li added to ester;A n/a
B n/a
C 65%
355-49-7

perfluorocetane

A

116-14-3

polytetrafluoroethylene

B

116-15-4

perfluoropropylene

C

357-26-6

octafluoro-1-butene

Conditions
ConditionsYield
at 195 - 500℃; under 75.7576 Torr; Temperature; Pressure; Pyrolysis;A 62.4%
B 24.3%
C 6.2%
661-95-0

1,2-dibromohexafluoropropane

A

2252-78-0

1-bromo-1,1,2,3,3,3-hexafluoro-propane

B

116-15-4

perfluoropropylene

C

431-63-0

1,1,1,2,3,3-hexafluoropropane

D

2252-80-4

2-bromo-1,1,1,2,3,3-hexafluoro-propane

Conditions
ConditionsYield
With tri-n-butyl-tin hydride for 1.5h; Product distribution; Heating;A 53%
B 3%
C 14%
D 21%
355-49-7

perfluorocetane

A

116-14-3

polytetrafluoroethylene

B

116-15-4

perfluoropropylene

Conditions
ConditionsYield
at 195 - 600℃; under 75.7576 Torr; Temperature; Pressure; Pyrolysis;A 50.3%
B 28.9%
34557-54-5

methane

115-25-3

Octafluorocyclobutane

A

116-14-3

polytetrafluoroethylene

B

116-15-4

perfluoropropylene

C

75-38-7

Vinylidene fluoride

D

754-12-1

2,3,3,3-tetrafluoro-propene

E

359-11-5

1,1,2-trifluoroethylene

Conditions
ConditionsYield
at 250 - 800℃; under 150.015 Torr; for 0.000175h; Temperature;A 45.8%
B 7.4%
C 10.4%
D 8.4%
E 9.5%
355-49-7

perfluorocetane

A

116-14-3

polytetrafluoroethylene

B

116-15-4

perfluoropropylene

C

115-25-3

Octafluorocyclobutane

Conditions
ConditionsYield
at 195 - 550℃; under 75.7576 Torr; Temperature; Pressure; Pyrolysis;A 36.1%
B 42.7%
C 6.1%
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  2.2; Label: Nonflammable Gas

Specification

The Hexafluoropropene, with the cas registry number 116-15-4, has the systematic name of 1,1,2,3,3,3-hexafluoroprop-1-ene. This is a kind of colorless nonflammable air with no odour.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 1.88; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 15.8; (5)ACD/BCF (pH 7.4): 15.8; (6)ACD/KOC (pH 5.5): 251.01; (7)ACD/KOC (pH 7.4): 251.01; (8)Index of Refraction: 1.253; (9)Molar Refractivity: 16.63 cm3; (10)Molar Volume: 104 cm3; (11)Polarizability: 6.59× 10-24 cm3; (12)Surface Tension: 9.6 dyne/cm ; (13)Density: 1.442 g/cm3; (14)Enthalpy of Vaporization: 21.51 kJ/mol; (15)Vapour Pressure: 4770 mmHg at 25°C; (16)Exact Mass: 149.990419 ; (17)MonoIsotopic Mass: 149.990419 ; (18)Heavy Atom Count: 9 ; (19)Complexity: 126.

Use of Hexafluoropropene: Hexafluoropropene reacts to produce 1,2-dibromo-1,1,2,3,3,3-hexafluoro-propane, with the following condition: solvent: bromine; other condition: im Licht.

As to its usage, it is widely applied in many ways. It could be used in producing fluro fined chemistry, pharmaceutic intermediate, extinguishant and fluoropolymer material; It could also be used in the material for the PSAIM, fluorocarbon oil, HFPO and so on.

While dealing with this chemical, you should be very cautious. This is irritant to respiratory system and may cause inflammation to the skin or other mucous membranes; Then it may cause damage to health, and if in case of fire and/or explosion, do not breathe fumes.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:F/C(F)=C(/F)C(F)(F)F
(2)InChI:InChI=1/C3F6/c4-1(2(5)6)3(7,8)9

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 750ppm/4H (750ppm)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 27, Pg. 509, 1966.
 
rat LC50 inhalation 11200mg/m3/4H (11200mg/m3) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 38, 1971.