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| CAS No.: | 307-24-4 |
|---|---|
| Name: | PERFLUOROHEXANOIC ACID |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C6HF11O2 |
| Molecular Weight: | 314.055 |
| Synonyms: | Hexanoicacid, undecafluoro- (6CI,7CI,8CI,9CI);NSC 5213;Perfluoro-1-pentanecarboxylicacid;Perfluorohexanoic acid;Undecafluorocaproic acid;Undecafluorohexanoicacid; |
| EINECS: | 206-196-6 |
| Density: | 1.722 g/cm3 |
| Melting Point: | 14 °C |
| Boiling Point: | 143 °C at 760 mmHg |
| Flash Point: | 40.3 °C |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 C;  T
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 3.17450 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With sulfur dioxide In water; N,N-dimethyl-formamide at 20℃; Product distribution; effect of water content of the solvent, role of allyl alcohol, Faradic yield; | A 3% B 95% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 120℃; | 94% |
- 65500-50-7
perfluoro-2-octene
- 307-24-4
undecafluorohexanoic acid
| Conditions | Yield |
|---|---|
| With bis(acetylacetonate)oxovanadium; dihydrogen peroxide | 92% |
| With bis(acetylacetonate)oxovanadium; dihydrogen peroxide Product distribution; various reaction conditions; | 92% |
- 355-43-1
n-perfluorohexyl iodide
- 106-95-6
allyl bromide
A
- 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
B
- 307-24-4
undecafluorohexanoic acid
C
- 80793-18-6
3-(perfluorohexyl)prop-1-ene
| Conditions | Yield |
|---|---|
| With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution; | A n/a B n/a C 88% |
| Conditions | Yield |
|---|---|
| With disodium hydrogenphosphate; potassium dihydrogenphosphate; lipoxygenase; oct-2-yne at 25 - 30℃; | 84% |
| With ammonium peroxydisulfate; sodium formate In N,N-dimethyl-formamide at 55℃; for 12h; | 83.9% |
| Multi-step reaction with 2 steps 1: 79 percent / sodium formaldehyde sulfoxylate, NaHCO3 / dimethylformamide; H2O / 17 h / 80 - 85 °C 2: 94 percent / concentrated sulfuric acid / 120 °C View Scheme |
- 31143-13-2
(E)-perfluorooct-2-ene
- 307-24-4
undecafluorohexanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen; oxygen; lead(II) oxide; ozone; calcium carbonate; palladium In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) 5 deg C to 10 deg C, 2 h, 2.) 20 deg C; | 80% |
- 556-56-9
allyl iodid
- 355-43-1
n-perfluorohexyl iodide
A
- 355-37-3
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
B
- 307-24-4
undecafluorohexanoic acid
C
- 80793-18-6
3-(perfluorohexyl)prop-1-ene
| Conditions | Yield |
|---|---|
| With potassium hydroxide; 2,2'-azobis(isobutyronitrile) at 80℃; for 56h; Substitution; | A n/a B n/a C 77% |
- 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate
- 307-24-4
undecafluorohexanoic acid
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(2-methylpropionamidine) dihydrochloride; water at 55℃; for 6.5h; | 75% |
- 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate
- 762-72-1
allyl-trimethyl-silane
A
- 307-24-4
undecafluorohexanoic acid
B
- 132673-95-1
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-(trimethylsilyl)nonane
| Conditions | Yield |
|---|---|
| With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h; | A 13% B 74% |
- 102061-83-6
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate
- 106-95-6
allyl bromide
A
- 307-24-4
undecafluorohexanoic acid
B
- 80793-18-6
3-(perfluorohexyl)prop-1-ene
| Conditions | Yield |
|---|---|
| With ammonium peroxydisulfate In N,N-dimethyl-formamide at 40℃; for 4h; | A 12% B 67% |
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Specification
The Undecafluorohexanoic acid, with the CAS registry number 307-24-4 and EINECS registry number 206-196-6, has the systematic name of undecafluorohexanoic acid. It is a kind of colourless liquid which is incompatible with oxidizing agents. And the molecular formula of the chemical is C6HF11O2.
The characteristics of Undecafluorohexanoic acid are as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 7.71; (8)ACD/KOC (pH 7.4): 7.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.289; (14)Molar Refractivity: 33.04 cm3; (15)Molar Volume: 182.3 cm3; (16)Polarizability: 13.09×10-24cm3; (17)Surface Tension: 17.4 dyne/cm; (18)Density: 1.722 g/cm3; (19)Flash Point: 40.3 °C; (20)Enthalpy of Vaporization: 41.93 kJ/mol; (21)Boiling Point: 143 °C at 760 mmHg; (22)Vapour Pressure: 3.09 mmHg at 25°C.
Preparation of Undecafluorohexanoic acid: This chemical can be prepared by hexadecafluoro-oct-2-ene. And the yield is about 92%.
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You should be cautious while dealing with this chemical. It irritates to respiratory system, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
(3)InChIKey: PXUULQAPEKKVAH-UHFFFAOYAH