NONAFLUORO-1-BUTANESULFONIC ACID

A poison by ingestion. When heated to decomposition it emits toxic vapors of SO_x and Cl⁻.

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,