Encyclopedia / Agrochemical Intermediates / Organic Intermediate / Pharmaceutical Intermediates

2-(Fluorosulfonyl)difluoroacetic acid

CAS：1717-59-5
MW:178.081
MF：C2HF3O4S

2-(Fluorosulfonyl)difluoroacetic acid, with the chemical formula C2HF3O4S and CAS registry number 1717-59-5, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as Fluorosulfonyldifluoroacetic acid, is characterized by its fluorine, sulfur, and carboxylic acid functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of fluorine, sulfur, and carboxylic acid moieties into different molecules. It is important to handle this compound with caution due to its corrosive nature. Further research and experimentation are recommended to explore its potential uses and properties.

View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-(Fluorosulfonyl)difluoroacetic acid

1.2 Synonyms: (Fluorosulfonyl)difluoroacetic acid; 2-(FLUOROSULPHONYL)DIFLUOROACETIC ACID; 2,2-Difluoro-2-(fluorosulfony)acetic Acid; 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE; 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETIC ACID; 2,2-Difluoro-2-(fluorosulphonyl)ethanoic acid; 2,2-difluoro-2-fluorosulfonylacetic acid; Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-; Difluoro(fluorosulfonyl)acetic acid; Difluoro(fluorosulphonyl)acetic acid; MFCD01320807;

View all

1.3 CAS No.: 1717-59-5

1.4 CID: 2737516

1.5 EINECS: 808-179-4

1.6 Molecular Formula: C2HF3O4S

1.7 Inchi: InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)

1.8 InChkey: VYDQUABHDFWIIX-UHFFFAOYSA-N

1.9 Canonical Smiles: C(=O)(C(F)(F)S(=O)(=O)F)O

1.10 Isomers Smiles: C(=O)(C(F)(F)S(=O)(=O)F)O

2. Properties

2.1 Appearance: Colorless to Almost colorless clear liquid

2.2 Storage: Moisture Sensitive. Ambient temperatures.

2.3 Color/Form: colorless

2.4 pKa: -0.38±0.10(Predicted)

2.5 Water Solubility: It is soluble in water.

2.6 StorageTemp: 0-10°C

3. Use and Manufacturing

3.1 Description

2-(Fluorosulfonyl)difluoroacetic acid, with the chemical formula C2HF3O4S, has the CAS number 1717-59-5. It appears as a colorless liquid with no specific odor. The basic structure of this compound consists of two fluorine atoms, one sulfur atom, one oxygen atom, and two carbon atoms. 2-(Fluorosulfonyl)difluoroacetic acid is soluble in water. Safety information regarding this chemical is not available.

Applicable Fields

There is no information available regarding the applicable fields and purpose of 2-(Fluorosulfonyl)difluoroacetic acid.

Storage

ConditionsStore in a cool and dry place.

View all

3.2 Usage: An important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes.

4. Safety and Handling

4.1 Safety: Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1760 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II

View all

4.2 Sensitive: Moisture Sensitive

4.3 Specification: 2-(Fluorosulfonyl)difluoroacetic acid , its cas register number is 1717-59-5. It also can be called 2,2-Difluoro-2-(fluorosulfonyl)acetic acid ; Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)- .

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 1

Skin corrosion, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H300 Fatal if swallowed H310 Fatal in contact with skin H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P262 Do not get in eyes, on skin, or on clothing. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P310 Immediately call a POISON CENTER/doctor/\u2026 P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Synthesis Route

1717-59-5Total: 7 Synthesis Route

697-18-7 23 Suppliers

1717-59-5 91 Suppliers

677-67-8 9 Suppliers

1717-59-5 91 Suppliers

View all

8. Precursor and Product

precursor:

18225-70-2

697-18-7

677-67-8

7732-18-5

107-46-0

7664-39-3

product:

461-62-1

75-46-7

124-38-9

1554-47-8

120801-75-4

422-67-3

1493-03-4

359-15-9

201230-82-2

40856-07-3

144-62-7

9. Computed Properties

Molecular Weight：178.081g/mol
Molecular Formula：C₂HF₃O₄S
Compound Is Canonicalized：True
Exact Mass：0.5
XLogP3-AA：177.95476417
Monoisotopic Mass：177.95476417
Complexity：236
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：79.8
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBAOYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwQACAQAAAAAwBAACAAAAgIIAACQCHBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Uses: An important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes.

Usage: 2,2-Difluoro-2-(fluorosulfonyl)acetic acid, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes.

Uses: Difluorocarbene source for the difluoromethylation of alcohols.

General Description: 2,2-Difluoro-2-(fluorosulfonyl)acetic acid reagent is employed as a difluorocarbene source for difluoromethylation of phenolic hydroxyl groups.

11. Toltal 84 Suppliers View more

Factory supply 2-(Fluorosulfonyl)difluoroacetic acid CAS 1717-59-5 with fast delivery

Wuhan Fortuna Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/08/08

inquire

Hebei Yanxi Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/14

inquire

Factory Supply 2-(Fluorosulfonyl)difluoroacetic acid

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

inquire

2,2-Difluoro-2-(fluorosulfonyl)acetic acid

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

Tianfu Chem 2-(Fluorosulfonyl)difluoroacetic acid

Henan Tianfu Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

inquire

12. Related Questions

: What is the background and overview of 2-(Fluorosulfonyl)difluoroacetic acid?2-(Fluorosulfonyl)difluoroacetic acid is a pharmaceutical intermediate that can be prepared by reacting tetrafluoroethylene-beta-sultone with sodium hydroxide. It has been reported in the literature t..

13. Realated Product Infomation