3-Fluoropropionic Acid - CAS 461-56-3

Catalog:	BB026082
Product Name:	3-Fluoropropionic Acid
CAS:	461-56-3
Synonyms:	3-fluoropropanoic acid; 3-fluoropropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-fluoropropanoic acid
Description:	3-Fluoropropionic Acid (CAS# 461-56-3) is a useful research chemical compound.
Molecular Weight:	92.07
Molecular Formula:	C3H5FO2
Canonical SMILES:	C(CF)C(=O)O
InChI:	InChI=1S/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChI Key:	RPFXMKLCYJSYDE-UHFFFAOYSA-N
Boiling Point:	83-84 ℃ (1.87kPa)
Density:	1.178 g/cm³
MDL:	MFCD01695563
LogP:	0.43060

Publication Number	Title	Priority Date
CN-111268689-A	Method for preparing mesoporous molecular sieve by ammonia-free method	20200119
CN-111268689-B	Method for preparing mesoporous molecular sieve by ammonia-free method	20200119
JP-2021098771-A	Color ink for permeation-drying offset printing	20191220
CN-112979655-A	Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof	20191216
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216

PMID	Publication Date	Title	Journal
22211146	20110101	PET Imaging of Integrin Positive Tumors Using F Labeled Knottin Peptides	Theranostics
12553893	20020901	Molecular modeling of potential new and selective PET radiotracers for the serotonin transporter. Positron Emission Tomography	Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	52.8
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:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1