3,3′-Dichlorobisphenol A - ≥98% , CAS No.79-98-1

CAS: 79-98-1 Cat. No.: D347786 Fórmula: C₁₅H₁₄Cl₂O₂ Peso molecular: 297.18

GRADE & PURITY ≥98%

Synonyms

4,4'-isopropylidenebis[o-chlorophenol] | AS-6196 | 4,4'-Isopropylidenebis(o-chlorophenol) | 2,2-Bis(4-hydroxy-3-chlorophenyl)propane | Enamine_005935 | FT-0666557 | DTXSID3058826 | IDI1_008170 | 3,3'-Dichlorodian | 2,2-bis(3-chloro,-4-hydroxyphenyl)propan

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

3,3′-Dichlorobisphenol A is a chlorinated derivative of Bisphenol A with estrogenic activity.

Specifications

Sinónimos

4,4'-isopropylidenebis[o-chlorophenol] | AS-6196 | 4,4'-Isopropylidenebis(o-chlorophenol) | 2,2-Bis(4-hydroxy-3-chlorophenyl)propane | Enamine_005935 | FT-0666557 | DTXSID3058826 | IDI1_008170 | 3,3'-Dichlorodian | 2,2-bis(3-chloro,-4-hydroxyphenyl)propan

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504754050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754050
• Sorrisos canónicos: CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl
• IUPAC Name: 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol
• InChIKey: XBQRPFBBTWXIFI-UHFFFAOYSA-N
• INCHI: 1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
• SMILES isoméricas: CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl
• Peso molecular: 297.18
• Reaxy-Rn: 2055892
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055892&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphenols
• Alternative Parents: Phenylpropanes O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisphenol - Phenylpropane - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
• 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

Propriedades químicas e físicas

• Peso molecular: 297.200 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 296.037 Da
• Monoisotopic Mass: 296.037 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 281.000
• 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

Perguntas frequentes

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 79-98-1, the molecular formula is C15H14Cl2O2, and the molecular weight is 297.18 g/mol. InChIKey XBQRPFBBTWXIFI-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.