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| CAS No.: | 678-77-3 |
|---|---|
| Name: | HEXAFLUOROGLUTARYL CHLORIDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C5Cl2F6O2 |
| Molecular Weight: | 276.95 |
| Synonyms: | Glutarylchloride, hexafluoro- (6CI,7CI,8CI);Pentanedioyl dichloride, hexafluoro-(9CI);Hexafluoroglutaryl chloride;Hexafluoroglutaryl dichloride;NSC 41888;Perfluoroglutaryl chloride; |
| EINECS: | 211-651-7 |
| Density: | 1.721 g/cm3 |
| Boiling Point: | 136.2 °C at 760 mmHg |
| Flash Point: | 36.2 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39 |
| Transport Information: | 3265 |
| PSA: | 34.14000 |
| LogP: | 2.42310 |
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- Total:24 Page 1 of 1 1
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Specification
The CAS register number of Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro- is 678-77-3. It also can be called as Hexafluoroglutaryl chloride and the systematic name about this chemical is hexafluoropentanedioyl dichloride. The molecular formula about this chemical is C5Cl2F6O2 and the molecular weight is 276.95.
Physical properties about Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro- are: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.58; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 58967.24; (6)ACD/BCF (pH 7.4): 58967.24; (7)ACD/KOC (pH 5.5): 90445.02; (8)ACD/KOC (pH 7.4): 90445.02; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.14 Å2; (12)Index of Refraction: 1.363; (13)Molar Refractivity: 35.85 cm3; (14)Molar Volume: 160.9 cm3; (15)Polarizability: 14.21x10-24cm3; (16)Surface Tension: 25.1 dyne/cm; (17)Density: 1.721 g/cm3; (18)Flash Point: 36.2 °C; (19)Enthalpy of Vaporization: 37.36 kJ/mol; (20)Boiling Point: 136.2 °C at 760 mmHg; (21)Vapour Pressure: 7.44 mmHg at 25 °C.
Preparation: this chemical can be prepared by hexafluoro-pentanedioic acid. This reaction will need reagent of SOCl2, KCl. The reaction needs heating.
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Uses of Pentanedioyldichloride, 2,2,3,3,4,4-hexafluoro-: it can be used to produce 2,2',3,3',4,4'-hexafluoro-1,5-bis[4-(3-methyl-1-phenylpyrazol-5-one)]-1,5-dioxopentane with 5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one. This reaction will need reagent of Ca(OH)2 and solvent of dioxane. This reaction needs heating. The reaction time is 3 days. The yield is about 35%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to respiratory system. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Cl)=O)C(F)(F)C(Cl)=O
(2)InChI: InChI=1/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
(3)InChIKey: QOLALWJWCONGMG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
(5)Std. InChIKey: QOLALWJWCONGMG-UHFFFAOYSA-N