2,2-Difluoro-2-(fluorosulfonyl)acetic acid - CAS 1717-59-5

Name: 2,2-Difluoro-2-(fluorosulfonyl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012768
Product Name:	2,2-Difluoro-2-(fluorosulfonyl)acetic acid
CAS:	1717-59-5
Synonyms:	2,2-difluoro-2-fluorosulfonylacetic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,2-difluoro-2-fluorosulfonylacetic acid
Description:	An important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes.
Molecular Weight:	178.09
Molecular Formula:	C2HF3O4S
Canonical SMILES:	C(=O)(C(F)(F)S(=O)(=O)F)O
InChI:	InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
InChI Key:	VYDQUABHDFWIIX-UHFFFAOYSA-N
Boiling Point:	153 °C
Purity:	98 %
Density:	1.723 g/cm³
MDL:	MFCD01320807
LogP:	1.04390

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

Sulfur Compounds

[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[874-87-3]C8H9ClS
4-(Methylthio)benzyl chloride
[15863-41-9]C8H7NS2
4-(Methylthio)phenyl isothiocyanate

GHS Hazard Statement:	H300 (85.11%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P262, P264, P270, P280, P301+P310, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P322, P330, P361, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016243100-A1	4-Methylsulfonyl-Substituted Piperidine Urea Compounds	20150122
US-2016176882-A1	Triazolopyrimidine compounds and uses thereof	20141223
US-2016168090-A1	Novel indole derivatives and their use in neurodegenerative diseases	20141215
US-2016075720-A1	Mk2 inhibitors and uses thereof	20140917
WO-2015181747-A1	Novel pyrazolo pyrimidine derivatives and their use as malt1 inhibitors	20140528

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.95476417
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.95476417
Rotatable Bond Count:	2
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5