2,6-Difluoro-4-methoxybenzoic acid - ≥97% , CAS No.123843-65-2

CAS: 123843-65-2 Cat. No.: D123770 Formula: C₈H₆F₂O₃ Peso molecolare: 188.13 Numero EC: 622-885-8

GRADE & PURITY ≥97%

Synonyms

2,6-Difluoro-4-methoxybenzoic acid, 97% | CL8013 | Benzoic acid, 2,6-difluoro-4-methoxy- | 2,6-Difluoro-4-methoxybenzoic acid | 2,6-difluoro-4-methoxy-benzoic Acid | MFCD02949623 | AKOS008901442 | EN300-96249 | SY061049 | LGHVYSAINQRZJQ-UHFFFAOYSA-N | J-0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2,6-Difluoro-4-methoxybenzoic acid, 97% | CL8013 | Benzoic acid, 2,6-difluoro-4-methoxy- | 2,6-Difluoro-4-methoxybenzoic acid | 2,6-difluoro-4-methoxy-benzoic Acid | MFCD02949623 | AKOS008901442 | EN300-96249 | SY061049 | LGHVYSAINQRZJQ-UHFFFAOYSA-N | J-0

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504762004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762004
• Sorrisi canonici: COC1=CC(=C(C(=C1)F)C(=O)O)F
• IUPAC Name: 2,6-difluoro-4-methoxybenzoic acid
• InChIKey: LGHVYSAINQRZJQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12)
• Isomeri SMILES: COC1=CC(=C(C(=C1)F)C(=O)O)F
• WGK Germania: 3
• Peso molecolare: 188.13
• Reaxy-Rn: 6969143
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6969143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe 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
• Classe: 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: 2-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Phenoxy compound - Phenol ether - 1-carboxy-2-haloaromatic compound - Anisole - Methoxybenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Aryl halide - Aryl fluoride - 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
• Descrizione: 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

Data sources

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 184-188°C
• Peso molecolare: 188.130 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.029 Da
• Monoisotopic Mass: 188.029 Da
• Topological Polar Surface Area: 46.500 Ų
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 123843-65-2, the molecular formula is C8H6F2O3, and the molecular weight is 188.13 g/mol. InChIKey LGHVYSAINQRZJQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.