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80337-25-3

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Basic Information
CAS No.: 80337-25-3
Name: 3,3,4,4,5,5,5-HEPTAFLUOROPENTYNE
Article Data: 4
Molecular Structure:
Molecular Structure of 80337-25-3 (3,3,4,4,5,5,5-HEPTAFLUOROPENTYNE)
Formula: C5HF7
Molecular Weight: 194.05
Synonyms: 3,3,4,4,5,5,5-Heptafluoropent-1-yne;3,3,4,4,5,5,5-Heptafluoropentyne;
Density: 1.457 g/cm3
Boiling Point: 10.7 °C at 760 mmHg
Hazard Symbols: FlammableF
Risk Codes: 10
Safety: 16
PSA: 0.00000
LogP: 2.45250
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Specification

The 1-Pentyne,3,3,4,4,5,5,5-heptafluoro-, with the CAS registry number 80337-25-3, is also known as 3,3,4,4,5,5,5-Heptafluoropentyne. This chemical's molecular formula is C5HF7 and molecular weight is 194.05. What's more, its systematic name is 3,3,4,4,5,5,5-Heptafluoropent-1-yne.

Physical properties of 1-Pentyne,3,3,4,4,5,5,5-heptafluoro- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 250.8; (6)ACD/BCF (pH 7.4): 250.8; (7)ACD/KOC (pH 5.5): 1815.72; (8)ACD/KOC (pH 7.4): 1815.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.289; (14)Molar Refractivity: 24.08 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 9.54×10-24 cm3; (17)Surface Tension: 14.9 dyne/cm; (18)Density: 1.457 g/cm3; (19)Enthalpy of Vaporization: 24.8 kJ/mol; (20)Boiling Point: 10.7 °C at 760 mmHg; (21)Vapour Pressure: 1260 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,1,2-trichloro-3,3,4,4,5,5,5-heptafluoro-1-pentene at the temperature of 100-120 °C. This reaction will need reagents Zn, ZnCl2 and solvent N,N-dimethyl-acetamide with the reaction time of 30 minutes. The yield is about 72%.

1-Pentyne,3,3,4,4,5,5,5-heptafluoro- can be prepared by 1,1,2-trichloro-3,3,4,4,5,5,5-heptafluoro-1-pentene at the temperature of 100-120 °C.

Uses of 1-Pentyne,3,3,4,4,5,5,5-heptafluoro-: it can be used to produce 4H,5-iodotetradecafluoro-4-octene at the temperature of 200-220 °C. The reaction time is 260 minutes. The yield is about 82%.

1-Pentyne,3,3,4,4,5,5,5-heptafluoro- can be used to produce 4H,5-iodotetradecafluoro-4-octene at the temperature of 200-220 °C.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C#C)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C5HF7/c1-2-3(6,7)4(8,9)5(10,11)12/h1H
(3)InChIKey: GQXURUTWTUSYPE-UHFFFAOYAG