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2-Amino-5-fluoro-4-methoxybenzoic acid - ≥95%, high purity , CAS No.1363380-91-9

COA

Grade & Purity:

≥95%

Cas Number: 1363380-91-9
Molecular Weight: 185.15
MDL number: MFCD23105873
PubChem CID: 72207798

In stock

Item Number

A770873

Grouped product items
SKU	Size	Availability	Price
A770873-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90
A770873-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$155.90
A770873-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$546.90

Basic Description

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
      - Level5 Methoxybenzoic acids and derivatives
        Level6 P-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	P-methoxybenzoic acids and derivatives
Alternative Parents	3-halobenzoic acids Aminobenzoic acids Halobenzoic acids Aminophenyl ethers Methoxyanilines Benzoic acids Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous amides Amino acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Aminophenyl ether - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Vinylogous amide - Amino acid - Amino acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Primary amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy 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

Names and Identifiers

IUPAC Name	2-amino-5-fluoro-4-methoxybenzoic acid
INCHI	InChI=1S/C8H8FNO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12)
InChIKey	NKAKHMMHWPAUDK-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C(=C1)N)C(=O)O)F
Isomeric SMILES	COC1=C(C=C(C(=C1)N)C(=O)O)F
PubChem CID	72207798
Molecular Weight	185.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	185.150 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	185.049 Da
Monoisotopic Mass	185.049 Da
Topological Polar Surface Area	72.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200.000
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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