Dimethyl 2-chloroterephthalate - ≥97% , CAS No.18643-84-0

CAS: 18643-84-0 Cat. No.: D351842 Summenformel: C₁₀H₉ClO₄ Molekulargewicht: 228.63 EG-Nummer: 242-475-9

QUALITÄT & REINHEIT ≥97%

Synonyms

AKOS015849907 | DTXSID80171904 | dimethyl 2-chlorobenzene-1,4-dicarboxylate | 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester | DIMETHYL 2-CHLOROBENZENE-1,4-DIOATE | MFCD00060639 | AS-44945 | Dimethyl chloroterephthalate

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

AKOS015849907 | DTXSID80171904 | dimethyl 2-chlorobenzene-1,4-dicarboxylate | 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester | DIMETHYL 2-CHLOROBENZENE-1,4-DIOATE | MFCD00060639 | AS-44945 | Dimethyl chloroterephthalate

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528757006

Kanonisches Lächeln

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

IUPAC Name

dimethyl 2-chlorobenzene-1,4-dicarboxylate

InChIKey

FUFFCPIFRICMFH-UHFFFAOYSA-N

INCHI

1S/C10H9ClO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

Isomere SMILES

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

Molekulargewicht

228.63

Reaxy-Rn

2274124

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2274124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 Phthalate esters
            • Ebene7 p-Phthalate esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous halides Methyl esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 58-60°
• Molekulargewicht: 228.630 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.019 Da
• Monoisotopic Mass: 228.019 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