2-Fluorobenzamide - CAS 445-28-3

Catalog:	BB025635
Product Name:	2-Fluorobenzamide
CAS:	445-28-3
Synonyms:	2-fluorobenzamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluorobenzamide
Description:	2-Fluorobenzamide (CAS# 445-28-3) is a useful research chemical.
Molecular Weight:	139.13
Molecular Formula:	C7H6FNO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)N)F
InChI:	InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	KGGHWIKBOIQEAJ-UHFFFAOYSA-N
Boiling Point:	238.4 °C at 760 mmHg
Melting Point:	115-119 °C
Purity:	95 %
Density:	1.238 g/cm³
Appearance:	White crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00007970
LogP:	1.62490
Vapor Pressure:	0.00109 [mmHg]

Publication Number	Title	Priority Date
CN-113426482-A	Application method of sodium triethylborohydride, organic amine compound and preparation method thereof	20210727
CN-113511727-A	System for coupling photocatalysis treatment of organic pesticide waste water in constructed wetland	20210527
CN-112142792-A	Novel method for constructing nitrogen-phosphorus double bonds through visible light catalysis	20200916
CN-112010777-A	Method for continuously preparing nitrile from amide in pipeline reactor	20200820
CN-112028726-A	Method for continuously preparing nitrile from amide	20200818

PMID	Publication Date	Title	Journal
22574506	20120101	Metabolic stability of new anticonvulsants in body fluids and organ homogenates	Acta poloniae pharmaceutica
21754203	20110401	N-(2-Fluoro-benzo-yl)-N',N''-bis-(4-methyl-phen-yl)phospho-ric triamide	Acta crystallographica. Section E, Structure reports online
21589131	20101030	2-Chloro-N-(4-meth-oxy-phen-yl)benzamide	Acta crystallographica. Section E, Structure reports online
19910433	20091201	Assessment of an 18F-labeled phosphoramidate peptidomimetic as a new prostate-specific membrane antigen-targeted imaging agent for prostate cancer	Journal of nuclear medicine : official publication, Society of Nuclear Medicine
19378352	20090701	A DFT and AIM analysis of the spin-spin couplings across the hydrogen bond in the 2-fluorobenzamide and related compounds	Magnetic resonance in chemistry : MRC

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[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
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

GHS Hazard Statement:	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:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.043341977
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.043341977
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6