Dimethyl Bromoterephthalate - ≥98%(GC) , CAS No.18643-86-2

CAS: 18643-86-2 Cat. No.: D154217 Formule: C₁₀H₉BrO₄ Poids moléculaire: 273.08 Numéro CE: 242-476-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

AS-15274 | 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester | 1,4-dimethyl 2-bromobenzene-1,4-dicarboxylate | FT-0637731 | SY007982 | dimethyl-2-bromo-terephthalate | DiMethyl2-bromoterephthalate | AKOS015834899 | MFCD00060638 | 2-bromo-1,4-benzened

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

AS-15274 | 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester | 1,4-dimethyl 2-bromobenzene-1,4-dicarboxylate | FT-0637731 | SY007982 | dimethyl-2-bromo-terephthalate | DiMethyl2-bromoterephthalate | AKOS015834899 | MFCD00060638 | 2-bromo-1,4-benzened

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504755900

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755900

Sourires canoniques

COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br

IUPAC Name

dimethyl 2-bromobenzene-1,4-dicarboxylate

InChIKey

VUMPFOPENBVFOF-UHFFFAOYSA-N

INCHI

1S/C10H9BrO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

Isomères SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br

Poids moléculaire

273.08

Reaxy-Rn

2375329

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2375329&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 Phthalate esters
            • Level7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives - Phthalate esters
• Direct Parent: p-Phthalate esters
• Alternative Parents: P-phthalic acid and derivatives Benzoic acid esters 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Vinylogous halides Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Dicarboxylic acid or derivatives - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 55 °C
• Poids moléculaire: 273.080 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.968 Da
• Monoisotopic Mass: 271.968 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 254.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 18643-86-2, the molecular formula is C10H9BrO4, and the molecular weight is 273.08 g/mol. InChIKey VUMPFOPENBVFOF-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.