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| CAS No.: | 375-73-5 |
|---|---|
| Name: | NONAFLUORO-1-BUTANESULFONIC ACID |
| Article Data: | 17 |
| Molecular Structure: | |
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|
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| Formula: | C4HF9O3S |
| Molecular Weight: | 300.102 |
| Synonyms: | Nonafluoro-1-butanesulfonic acid;Nonafluorobutanesulfonic acid;Pentyl perfluorobutanoate;1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-; |
| EINECS: | 206-793-1 |
| Density: | 1.848 g/cm3 |
| Boiling Point: | 112-114 °C 14 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Solubility: | 1000g/L at 20℃ |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 62.75000 |
| LogP: | 3.38070 |
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Toxicity Data With Reference
| 1. | orl-rat LD50:430 mg/kg | ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. 15 (Suppl 1)(1996),S105. |
Safety Profile
Specification
The 1-Perfluorobutanesulfonic acid, with the CAS registry number 749861-23-2, is also known as Perfluorobutanesulfonic acid. It belongs to the product categories of Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds. Its EINECS registry number is 206-793-1. This chemical's molecular formula is C4HF9O3S and molecular weight is 300.10. What's more, both its IUPAC name and systematic name are the same which is called 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid. As an anion it functions as a stable fluorosurfactant because of the strength of carbon–fluorine bonds.
Physical properties about 1-Perfluorobutanesulfonic acid are: (1)ACD/LogP: 1.689; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.75 Å2; (13)Index of Refraction: 1.318; (14)Molar Refractivity: 32.02 cm3; (15)Molar Volume: 162.323 cm3; (16)Polarizability: 12.694×10-24cm3; (17)Surface Tension: 23.437 dyne/cm; (18)Density: 1.849 g/cm3.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and it reacts violently with water. It is harmful if swallowed and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)F
(2) InChI: InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
(3) InChIKey: JGTNAGYHADQMCM-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 430mg/kg (430mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, |