XtalFluor-E
- Iupac Name：diethylamino(difluoro)sulfanium;tetrafluoroborate
- CAS No.: 63517-29-3
- Molecular Weight：228.991
- Modify Date.: 2022-11-22 21:39
- Introduction: XtalFluor-E can be used as convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile. XtalFluor-ESupplier
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1. Names and Identifiers
- 1.1 Name
- XtalFluor-E
- 1.2 Synonyms
(Diethylamino)difluorosulfonium tetrafluoroborate diethylamino(difluoro)sulfanium,tetrafluoroborate DiethylaMinodifluorosulfiniuM tetrafluoroborate N,N-Diethyl-S,S-difluorosulfiliminium tetrafluoroborate Xtalfiuor-E XtalFluor-E(R) XtalFluor-E?XtalFluor-E
- 1.3 CAS No.
- 63517-29-3
- 1.4 CID
- 44517918
- 1.5 EINECS(EC#)
- 1312995-182-4
- 1.6 Molecular Formula
- C4H10BF6NS (isomer)
- 1.7 Inchi
- InChI=1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
- 1.8 InChkey
- YLNKFQWRRIXZPJ-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- [B-](F)(F)(F)F.CCN(CC)[S+](F)F
- 1.10 Isomers Smiles
- [B-](F)(F)(F)F.CCN(CC)[S+](F)F
2. Properties
- 2.1 Melting point
- 84-87℃
- 2.1 PSA
- 28.54000
- 2.1 logP
- 2.93050
- 2.1 Storage
- 2-8°C
3. Use and Manufacturing
- 3.1 Usage
- XtalFluor-E can be used as convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile. XtalFluor-ESupplier
4. Safety and Handling
- 4.1 Hazard Codes
- T
- 4.1 Risk Statements
- 23/24/25-34
- 4.1 Safety Statements
- 26-36/37/39-45
- 4.1 Hazard Declaration
- H301 + H311 + H331-H314
- 4.1 RIDADR
- UN 2923 8/PG 3
- 4.1 Caution Statement
- P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P403 + P233
- 4.1 WGK Germany
- 3
5. Other Information
- 5.0 Uses
- Convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile1, that doesn′t generate corrosive HF2 which makes it suitable for use in standard borosilicate vessels, and does not react violently with water3Reactant for:? ;Preparation of fluorodisaccharides4
- 5.1 Mesh Entry Terms
- diethylaminodifluorosulfinium tetrafluoroborate
6. Computational chemical data
- Molecular Weight: 228.991g/mol
- Molecular Formula: C4H10BF6NS
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 229.0531196
- Monoisotopic Mass: 229.0531196
- Complexity: 75.1
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Topological Polar Surface Area: 4.2
- Heavy Atom Count: 13
- 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: 2
- CACTVS Substructure Key Fingerprint: AAADccJiAcBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEHAAAQAQAAADBAAQCAAIAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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XtalFluor-E
- Purity:99%Packing: 200kg/bag FOB
- Price: 1 USD/kilogram
- Time: 2019/05/21
Inquire
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- Products:API, Pharmaceutical intermediates, photoelectronic Materials
- Tel:86-21-60542966
8. Realated Product Infomation
skype
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