PFC-MS

PFC-MS - Names and Identifiers

Name	Trifluoromethanesulfonic acid
Synonyms	FC-24 PFC-MS Triflate Triflic acid Fluorad FC-24 trifluoromethanesulfonic trifluoro-methanesulfonicaci PERFLUOROMETHANESULFONIC ACID Trifluoromethanesulfonic acid Trifluoromethane sulfonic acid TRIFLUOROMETHANESULPHONIC ACID Trifluoromethanesulphonic acid Methanesulfonic acid, trifluoro-
CAS	1493-13-6
EINECS	216-087-5
InChI	InChI=1/CHF3.H2O3S/c2-1(3)4;1-4(2)3/h1H;4H,(H,1,2,3)
InChIKey	ITMCEJHCFYSIIV-UHFFFAOYSA-N

PFC-MS - Physico-chemical Properties

Molecular Formula	CHF3O3S
Molar Mass	150.08
Density	1.696 g/mL at 25 °C (lit.)
Melting Point	-40 °C
Boling Point	162 °C (lit.)
Flash Point	None
Water Solubility	SOLUBLE
Solubility	Soluble in water, DMSO, DMF, and acetonitrile.
Vapor Presure	8 mm Hg ( 25 °C)
Vapor Density	5.2 (vs air)
Appearance	Bright yellow liquid
Specific Gravity	1.696
Color	slightly brown
Merck	14,9676
BRN	1812100
pKa	-14(at 25℃)
Storage Condition	Store below +30°C.
Stability	Stable. Incompatible with acids, alkalis, metals.
Sensitive	Hygroscopic
Refractive Index	n20/D 1.327(lit.)
MDL	MFCD00007514
Physical and Chemical Properties	When boron trifluoride (BF3), phosphorus pentafluoride, arsenic pentafluoride and other strong Lewis acids are dissolved, stable complex acids are generated: H[CF3SO3BF3], H[CF3SO3PF5], H[CF3SO3AsF5] is thus more acidic. Trifluoromethanesulfonic acid (TfOH) emits smoke in the air and easily absorbs water to form monohydrate. Very soluble in water, melt water release a lot of heat, hydrolysis of trifluoromethane (CHF3) and sulfuric acid. Trifluoromethanesulfonic acid (TfOH) reacts with phosphorus pentoxide under heating to give trifluoromethanesulfonic anhydride (similarly, concentrated sulfuric acid reacts with phosphorus pentoxide to give sulfur trioxide).
Use	For Organic synthesis

PFC-MS - Risk and Safety

Hazard Symbols	C - Corrosive
Risk Codes	R21/22 - Harmful in contact with skin and if swallowed. R35 - Causes severe burns R10 - Flammable
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 3265 8/PG 2
WGK Germany	2
RTECS	PB2771000
FLUKA BRAND F CODES	3-10
TSCA	Yes
HS Code	29049020
Hazard Note	Corrosive/Hygroscopic
Hazard Class	8
Packing Group	II
Toxicity	LD50 orally in Rabbit: 1605 mg/kg LD50 dermal Rat > 2000 mg/kg

PFC-MS - Reference Information

update date:	2022/11/11 19:50:47
LogP	0.3 at 25℃
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
introduction	trifluoromethanesulfonic acid, as one of the super acids, is extremely stable to redox and can be used as a catalyst for polymerization, esterification, coagulation, dehydration and other reactions. it is widely used in plastic industry, fuel industry, pharmaceutical industry, synthesis of herbicides and growth regulators, synthesis of vitamins and sugar industry.
application	trifluoromethanesulfonic acid (TfOH), a strong organic acid, easily soluble in water, low toxicity, and widely used. it is one of the known super acids and a universal synthetic tool. It has strong corrosiveness and hygroscopicity. It is widely used in pharmaceutical, chemical and other industries. It has small dosage, strong acidity and stable properties. It can replace traditional sulfuric acid, hydrochloric acid and other traditional inorganic acids in many occasions, and play a role in optimizing and improving the process.
Production process	Using halogenated trifluoromethane as raw material, in a nitrogen-protected environment, zinc powder and tetrahydrofuran are added, and the trifluorobromomethane gas is introduced. Add catalytic amount to obtain elemental iodine, control the temperature reaction to obtain trifluoromethyl zinc halide reagent, add sulfur trioxide to continue the reaction to generate halogenated zinc trifluoromethanesulfonate, add the reaction solution to the lye to neutralize, and evaporate the filtr, the solid sodium trifluoromethanesulfonate salt was obtained, and then acidified and rectified to obtain trifluoromethanesulfonic acid (TfOH).
preparation method	yellow-brown liquid. Boiling point 167~170 ℃. 1.331 refractive index. Relative density 1.708. It is the strongest organic acid and is easily soluble in water. Using carbon disulfide as raw material, it reacts with iodine pentafluoride to form trifluoromethyl disulfide. Reacts with mercury to obtain trifluoromethyl mercury (CF3S)2Hg, which is oxidized by hydrogen peroxide to obtain trifluoromethanesulfonic acid.
Uses	Used in organic synthesis It has a wide range of uses. It is the strongest organic acid known and a universal synthesis tool. It is highly corrosive and hygroscopic, and is widely used in pharmaceutical, chemical and other industries. Such as nucleosides, antibiotics, steroids, proteins, carbohydrates, vitamin synthesis, silicone rubber modification, etc. Catalyst for isomerization and alkylation. Preparation of 2, 3-dihydro-2-indanone and tetrahydronaphthone. Remove glycosides from glycoproteins.

Last Update：2024-04-10 22:29:15

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