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4-Fluoro-2-nitroaniline - 98%, high purity , CAS No.364-78-3

COA

Grade & Purity:

≥98%

Cas Number: 364-78-3
Molecular Weight: 156.11
Beilstein Registry Number: 2210197
EC Number: 206-666-0
MDL number: MFCD00007830
PubChem CID: 67769
PubChem SID: 488184006

In stock

Item Number

F120537

Grouped product items
SKU	Size	Availability	Price
F120537-5g	5g	9	$57.90
F120537-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
F120537-25g	25g	1	$230.90
F120537-100g	100g	2	$831.90
F120537-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,739.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	BCP05910 \| 4-Fluoro-2-nitrobenzeneamine \| 4-FLUORO-2-NITROBENZENAMINE \| NSC 402980 \| Z57473881 \| (7R)-7-(2-Hydroxy-2-phenylacetylamino)-6-oxo-3-{[1-(sulfomethyl)(1,2,3,4-tetraazol-5-ylthio)]methyl}-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylicacid \|
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Description 4-Fluoro-2-nitroaniline forms complexes with cobalt(II), nickel(II) and copper(II). Application 4-Fluoro-2-nitroaniline was used as starting reagent in the synthesis of 4-fluoro-N-ethyl-2-nitroaniline and N-(4-fluoro-2-nitrophenyl)-β-alanine.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488184006
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184006
IUPAC Name	4-fluoro-2-nitroaniline
INCHI	InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey	PUGDHSSOXPHLPT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)[N+](=O)[O-])N
Isomeric SMILES	C1=CC(=C(C=C1F)[N+](=O)[O-])N
WGK Germany	3
Molecular Weight	156.11
Beilstein	2210197
Reaxy-Rn	2210197
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210197&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E1802059	Certificate of Analysis	Mar 30, 2022	F120537
E1802058	Certificate of Analysis	Mar 30, 2022	F120537
D2313599	Certificate of Analysis	Sep 19, 2021	F120537

Chemical and Physical Properties

Solubility	Insoluble in water.
Flash Point(°F)	192.2 °F
Flash Point(°C)	89°(192°F)
Melt Point(°C)	90-94°C
Molecular Weight	156.110 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	156.034 Da
Monoisotopic Mass	156.034 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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