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Ethyl 3-amino-4-fluorobenzoate - 95%, high purity , CAS No.455-75-4

COA

Grade & Purity:

≥95%

Cas Number: 455-75-4
Molecular Weight: 183.2
PubChem CID: 18412404

In stock

Item Number

E184612

Grouped product items
SKU	Size	Availability	Price
E184612-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
E184612-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
E184612-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$245.90
E184612-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$884.90

Discover Ethyl 3-amino-4-fluorobenzoate by Aladdin Scientific in 95% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 3-amino-4-fluorobenzoate \| 455-75-4 \| MFCD03840487 \| Ethyl3-amino-4-fluorobenzoate \| ethyl 3-amino-4-fluoro-benzoate \| AM1004 \| SCHEMBL1127647 \| DTXSID60593524 \| Ethyl 3-Amino-4-Fluoro Benzoate \| XRJOTWKQZHOXTM-UHFFFAOYSA-N \| AKOS010053629 \| CS-W022669 \| DS-0876 \| AC-16590 \| S
Specifications & Purity	≥95%
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	Benzoic acid esters
Alternative Parents	Aminobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes Aryl fluorides Carboxylic acid esters Amino acids and derivatives Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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

IUPAC Name	ethyl 3-amino-4-fluorobenzoate
INCHI	InChI=1S/C9H10FNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3
InChIKey	XRJOTWKQZHOXTM-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)F)N
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)F)N
Molecular Weight	183.2
Reaxy-Rn	2578060
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2578060&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	183.07 Da
Monoisotopic Mass	183.07 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186.000
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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