2,4-Difluorobenzyl chloride - ≥97% , CAS No.452-07-3

CAS: 452-07-3 Cat. No.: D122811 Formula: C₇H₅ClF₂ Molecular Weight: 162.57 Beilstein Registry Number: 5(4)813 EC Number: 672-587-7

GRADE & PURITY ≥97%

Synonyms

SY040263 | SCHEMBL1503215 | XPGHWBDZNQUUQD-UHFFFAOYSA-N | AKOS000262025 | CK1010 | alpha-Chloro-2,4-difluorotoluene | DTXSID80371725 | FT-0609768 | 2,4-difluorobenzylchloride | FT-0656791 | 1-(chloromethyl)-2,4-difluorobenzene | AC-9732 | 2,4-Difluorobenz

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SY040263 | SCHEMBL1503215 | XPGHWBDZNQUUQD-UHFFFAOYSA-N | AKOS000262025 | CK1010 | alpha-Chloro-2,4-difluorotoluene | DTXSID80371725 | FT-0609768 | 2,4-difluorobenzylchloride | FT-0656791 | 1-(chloromethyl)-2,4-difluorobenzene | AC-9732 | 2,4-Difluorobenz

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761344
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761344
• Canonical Smiles: C1=CC(=C(C=C1F)F)CCl
• IUPAC Name: 1-(chloromethyl)-2,4-difluorobenzene
• InChIKey: XPGHWBDZNQUUQD-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
• Isomeric SMILES: C1=CC(=C(C=C1F)F)CCl
• Molecular Weight: 162.57
• Beilstein: 5(4)813
• Reaxy-Rn: 2249478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl chloride - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.491
• x_flash_point_drop_centigrade: 62 °C
• x_boil_point_char: 60 °C/10 mmHg
• Molecular Weight: 162.560 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.005 Da
• Monoisotopic Mass: 162.005 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 452-07-3, the molecular formula is C7H5ClF2, and the molecular weight is 162.57 g/mol. InChIKey XPGHWBDZNQUUQD-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.