2-Bromo-4-methoxybenzoic acid - ≥98% , CAS No.74317-85-4

CAS: 74317-85-4 Cat. No.: B186370 Summenformel: C₈H₇BrO₃ Molekulargewicht: 231.04 EG-Nummer: 818-637-5

GRADE & PURITY ≥98%

Synonyms

2-bromo-4-methoxy benzoic acid | FS-2232 | SCHEMBL1180221 | Benzoicacid, 2-bromo-4-methoxy- | SEJVMKLJNIKFAF-UHFFFAOYSA-N | 2-bromo-4-methoxybenzoic acid | 2-Bromo-4-methoxy-benzoic acid | AKOS008674986 | J-519757 | AB01334548-02 | NCGC00342856-01 | DTXSI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-bromo-4-methoxy benzoic acid | FS-2232 | SCHEMBL1180221 | Benzoicacid, 2-bromo-4-methoxy- | SEJVMKLJNIKFAF-UHFFFAOYSA-N | 2-bromo-4-methoxybenzoic acid | 2-Bromo-4-methoxy-benzoic acid | AKOS008674986 | J-519757 | AB01334548-02 | NCGC00342856-01 | DTXSI

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198671

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198671

Kanonisches Lächeln

COC1=CC(=C(C=C1)C(=O)O)Br

IUPAC Name

2-bromo-4-methoxybenzoic acid

InChIKey

SEJVMKLJNIKFAF-UHFFFAOYSA-N

INCHI

1S/C8H7BrO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

Isomere SMILES

COC1=CC(=C(C=C1)C(=O)O)Br

Molekulargewicht

231.04

Reaxy-Rn

2641692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Methoxybenzoic acids and derivatives
          • Ebene6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: Halobenzoic acids 2-halobenzoic acids Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 1-carboxy-2-haloaromatic compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - 1-carboxy-2-haloaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Vinylogous halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 231.040 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.958 Da
• Monoisotopic Mass: 229.958 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 74317-85-4, the molecular formula is C8H7BrO3, and the molecular weight is 231.04 g/mol. InChIKey SEJVMKLJNIKFAF-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.