2-Fluoropropionic acid - CAS 6087-13-4

Catalog:	BB030844
Product Name:	2-Fluoropropionic acid
CAS:	6087-13-4
Synonyms:	2-fluoropropanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluoropropanoic acid
Description:	2-Fluoropropionic acid (CAS# 6087-13-4) is used in the medical field for diagnostic purposes. It is labelled with 18F and is used as an imaging agent for detecting prostate cancer in humans. 2-Fluoropropionic acid is also used to prepare 2-fluoro fatty acids, compounds that exhibit antifungal properties.
Molecular Weight:	92.07
Molecular Formula:	C3H5FO2
Canonical SMILES:	CC(C(=O)O)F
InChI:	InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChI Key:	ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Boiling Point:	66-67 °C
Density:	1.214 g/cm³
MDL:	MFCD06247714
LogP:	0.42900

Publication Number	Title	Priority Date
WO-2021209383-A1	Herbicidal compounds	20200417
WO-2021201196-A1	Film-forming composition	20200331
CN-111253454-A	Preparation method of anti-hepatitis C drug sofosbuvir	20200319
CN-111362989-A	Preparation method of Sofosbuvir key intermediate	20200319
WO-2021083380-A1	Eed inhibitor, and preparation method therefor and use thereof	20191101

PMID	Publication Date	Title	Journal
21544226	20110101	F-Labeled GRPR Agonists and Antagonists: A Comparative Study in Prostate Cancer Imaging	Theranostics
22211146	20110101	PET Imaging of Integrin Positive Tumors Using F Labeled Knottin Peptides	Theranostics
11456337	20010601	2-Halopropionic acid-induced cerebellar granule cell necrosis in the rat: in vivo and in vitro studies	Neurotoxicology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	61.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	92.02735756
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	92.02735756
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6