structure of 2-Fluoro-4-trifluoromethylbenzyl chloride

2-Fluoro-4-trifluoromethylbenzyl chloride

CAS No.: 1000339-60-5
M. Wt: 212.57200
M. Fa: C8H5ClF4
InChI Key: OOGWHXAQEMXPLR-UHFFFAOYSA-N
Appearance: Liquid

Names and Identifiers of 1000339-60-5

CAS Number

1000339-60-5

MDL Number

MFCD09749659

IUPAC Name

1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene

InChI

InChI=1S/C8H5ClF4/c9-4-5-1-2-6(3-7(5)10)8(11,12)13/h1-3H,4H2

InChIKey

OOGWHXAQEMXPLR-UHFFFAOYSA-N

Canonical SMILES

FC1=CC(C(F)(F)F)=CC=C1CCl

UNSPSC Code

12352100

Physical and chemical properties of 1000339-60-5

Density

1.3

Exact Mass

212.00200

LogP

3.58330

Molecular Formula

C8H5ClF4

Molecular Weight

212.57200

Safety Information of 1000339-60-5

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000339-60-5

1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene finds applications in several areas:

  • Chemical Research: It serves as an intermediate in the synthesis of more complex organic molecules.
  • Pharmaceuticals: Its unique structure makes it a candidate for developing new therapeutic agents.
  • Material Science: The compound may be used in creating advanced materials with specific properties due to its fluorinated groups.
Similar Compounds: Comparison

Several compounds share structural similarities with 1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene. Here are some notable examples:

Compound NameCAS NumberKey Features
1-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene20163306Contains a nitro group instead of chloromethyl
1-Chloro-4-(chloromethyl)-2-(trifluoromethyl)benzene13094262Contains two chloromethyl groups
2-Fluoro-4-trifluoromethyl-benzyl chlorideNot listedLacks chloromethyl; only has trifluoromethyl

Retrosynthesis analysis of 1000339-60-5

  • Route#1

    Cas:197239-49-9
    Cas:1000339-60-5

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