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Ethyl 4-fluoro-3-nitrobenzoate - 98%, high purity , CAS No.367-80-6

COA

Grade & Purity:

≥98%

Cas Number: 367-80-6
Molecular Weight: 213.2
PubChem CID: 21277355
PubChem SID: 488199869

In stock

Item Number

E184057

Grouped product items
SKU	Size	Availability	Price
E184057-5g	5g	1	$13.90
E184057-10g	10g	1	$24.90
E184057-25g	25g	4	$45.90
E184057-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$128.90

Discover Ethyl 4-fluoro-3-nitrobenzoate by Aladdin Scientific in 98% for only $13.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 4-fluoro-3-nitrobenzoate \| 367-80-6 \| 4-Fluoro-3-nitrobenzoic acid ethyl ester \| Benzoic acid, 4-fluoro-3-nitro-, ethyl ester \| MFCD03428515 \| Ethyl4-Fluoro-3-nitrobenzoate \| ethyl 4-flouro-3-nitrobenzoate \| ethyl-4-fluoro-3-nitrobenzoate \| SCHEMBL1305326 \| ethyl 3-n
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	4-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organofluorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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

Names and Identifiers

Pubchem Sid	488199869
IUPAC Name	ethyl 4-fluoro-3-nitrobenzoate
INCHI	InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChIKey	YONVBKVUSUGBQR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
Molecular Weight	213.2
Reaxy-Rn	3312243
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3312243&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
J2115148	Certificate of Analysis	Jul 15, 2024	E184057
J2115166	Certificate of Analysis	Jul 15, 2024	E184057
J2115174	Certificate of Analysis	Jul 15, 2024	E184057
J2115187	Certificate of Analysis	Jul 15, 2024	E184057
D2312110	Certificate of Analysis	Sep 13, 2021	E184057

Chemical and Physical Properties

Molecular Weight	213.160 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	213.044 Da
Monoisotopic Mass	213.044 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253.000
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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