Fluoroacetonitrile - CAS 503-20-8

Catalog:	BB027008
Product Name:	Fluoroacetonitrile
CAS:	503-20-8
Synonyms:	2-fluoroacetonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluoroacetonitrile
Description:	Fluoroacetonitrile (CAS# 503-20-8) is a water disinfectant byproduct that showed weak inhibition of rat hepatic glutathione S-transferases in vitro. Fluoroacetonitrile is also a reagent in the preparation of the PAD4 inhibitor F-Amidine.
Molecular Weight:	59.04
Molecular Formula:	C2H2FN
Canonical SMILES:	C(C#N)F
InChI:	InChI=1S/C2H2FN/c3-1-2-4/h1H2
InChI Key:	GNFVFPBRMLIKIM-UHFFFAOYSA-N
Boiling Point:	79-80 ℃
Density:	1.061 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00009969
LogP:	0.47948

Publication Number	Title	Priority Date
CN-112812035-A	Fluoroacetaldehyde-oxygen-aryl oxime compound and synthesis method thereof	20210201
CN-111620841-A	3-cyano phenalenone compound and application thereof	20200416
WO-2021207634-A1	Biomarkers related to parkinson's disease and methods of using the same	20200410
CN-113045477-A	Preparation method of fluorine-containing primary amine intermediate	20191226
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217

PMID	Publication Date	Title	Journal
21420336	20110501	Triple resonance, triple-quantum NMR studies of dipolar coupled spin systems	Journal of magnetic resonance (San Diego, Calif. : 1997)

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Related Functional Groups

Fluorinated Building Blocks

[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[503-09-3]
Epifluorohydrin

Nitrogen Compounds

[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	41.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	59.017127230
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	59.017127230
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4