4-(3,5-Dichlorophenyl)-2-fluorobenzaldehyde - ≥96% , CAS No.1361871-90-0

CAS: 1361871-90-0 Cat. No.: D181307 Formula: C₁₃H₇Cl₂FO Molecular Weight: 269.1 EC Number: 846-802-1 PubChem CID: 70699714

GRADE & PURITY ≥96%

Synonyms

1361871-90-0|4-(3,5-Dichlorophenyl)-2-fluorobenzaldehyde|3',5'-Dichloro-3-fluoro-[1,1'-biphenyl]-4-carbaldehyde|DTXSID10742828|MFCD22192557|BS-25643|3',5'-Dichloro-3-fluoro-biphenyl-4-carboxaldehyde|3',5'-Dichloro-3-fluoro[1,1'-biphenyl]-4-carbaldehyde

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1361871-90-0 | 4-(3,5-Dichlorophenyl)-2-fluorobenzaldehyde | 3',5'-Dichloro-3-fluoro-[1,1'-biphenyl]-4-carbaldehyde | DTXSID10742828 | MFCD22192557 | BS-25643 | 3',5'-Dichloro-3-fluoro-biphenyl-4-carboxaldehyde | 3',5'-Dichloro-3-fluoro[1,1'-biphenyl]-4-carbaldehyde

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Canonical Smiles

C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C=O

IUPAC Name

4-(3,5-dichlorophenyl)-2-fluorobenzaldehyde

InChIKey

MIZDCJVWRWQQIU-UHFFFAOYSA-N

INCHI

1S/C13H7Cl2FO/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-7H

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C=O

PubChem CID

70699714

Molecular Weight

269.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Dichlorobenzenes Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - Benzaldehyde - Benzoyl - 1,3-dichlorobenzene - Aryl-aldehyde - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl chloride - Vinylogous halide - Organooxygen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 269.090 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 267.986 Da
• Monoisotopic Mass: 267.986 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% 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 1361871-90-0, the molecular formula is C13H7Cl2FO, and the molecular weight is 269.1 g/mol. InChIKey MIZDCJVWRWQQIU-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.