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2,4,5-Trifluoro-3-methoxybenzoic Acid - ≥98.0%, high purity , CAS No.112811-65-1

COA

Grade & Purity:

≥98%

Cas Number: 112811-65-1
Molecular Weight: 206.12
MDL number: MFCD00153201
PubChem CID: 2733970
PubChem SID: 488192458

In stock

Item Number

T162531

Grouped product items
SKU	Size	Availability	Price
T162531-5g	5g	4	$12.90
T162531-25g	25g	5	$18.90
T162531-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$64.90
T162531-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$292.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	AC-9309 \| SCHEMBL607945 \| EN300-179628 \| 3-methoxy-2,4,5-trifluorobenzoic acid \| 3-methoxy-2,4,5-trifluoro-benzoic acid \| YVJHZWWMKFQKDC-UHFFFAOYSA-N \| 2,4,5-Trifluoro-3-methoxybenzoic acid, 95% \| T1917 \| 3-methoxy-2,4,5-triflourobenzoic acid \| 3-Methoxy-
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,4,5-Trifluoro-3-methoxybenzoic acid readily forms organotin(IV) complexes. 2,4,5-Trifluoro-3-methoxybenzoic acid may be used as a precursor for the preparation of quinolone derivatives. It may also be used to synthesize 1-(carboxymethyl)-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and triaqua (1,10-phenanthroline-κ2N, N′)(2, 4, 5-trifluoro-3-methoxybenzoato-κO1) cobalt (II) 2, 4, 5-trifluoro-3-methoxybenzoate.

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 M-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	M-methoxybenzoic acids and derivatives
Alternative Parents	2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - 1-carboxy-2-haloaromatic compound - Phenol ether - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 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

Pubchem Sid	488192458
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192458
IUPAC Name	2,4,5-trifluoro-3-methoxybenzoic acid
INCHI	InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
InChIKey	YVJHZWWMKFQKDC-UHFFFAOYSA-N
Smiles	COC1=C(C(=CC(=C1F)F)C(=O)O)F
Isomeric SMILES	COC1=C(C(=CC(=C1F)F)C(=O)O)F
WGK Germany	3
PubChem CID	2733970
Molecular Weight	206.12
Reaxy-Rn	7428474

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

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Lot Number	Certificate Type	Date	Item
H1724032	Certificate of Analysis	Mar 04, 2025	T162531

Chemical and Physical Properties

Melt Point(°C)	116 - 119°C
Molecular Weight	206.120 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	206.019 Da
Monoisotopic Mass	206.019 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224.000
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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