2,4-Difluorobenzyl chloride

Base Information

• Chemical Name: 2,4-Difluorobenzyl chloride
• CAS No.: 452-07-3
• Molecular Formula: C7H5ClF2
• Molecular Weight: 162.567
• Hs Code.: 2903999090
• European Community (EC) Number: 672-587-7
• DSSTox Substance ID: DTXSID80371725
• Wikidata: Q72462684
• Mol file: 452-07-3.mol

Synonyms:2,4-Difluorobenzyl chloride;452-07-3;1-(chloromethyl)-2,4-difluorobenzene;2,4-difluorobenzylchloride;Benzene, 1-(chloromethyl)-2,4-difluoro-;MFCD01090988;alpha-Chloro-2,4-difluorotoluene;2,4-difluoro-benzyl chloride;SCHEMBL1503215;DTXSID80371725;XPGHWBDZNQUUQD-UHFFFAOYSA-N;CK1010;STK503683;AKOS000262025;AC-9732;AM62158;PS-10668;SY040263;D3493;FT-0609768;FT-0656791;EN300-61214;A22576;J-507214

Chemical Property of 2,4-Difluorobenzyl chloride

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 1.54mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.4910
• Boiling Point: 175.4 °C at 760 mmHg
• Flash Point: 62.3 °C
• PSA: 0.00000
• Density: 1.294 g/cm³
• LogP: 2.70360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.0047842
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2,4-Difluorobenzyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)CCl

Technology Process of 2,4-Difluorobenzyl chloride

There total 3 articles about 2,4-Difluorobenzyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-Difluorobenzene (372-18-9) → 2,4-difluorobenzyl chloride (452-07-3)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; In water; acetonitrile; for 8h; Solvent; Reflux;

Reference yield:

3-fluoro-6-methylaniline (367-29-3) → 2,4-difluorobenzyl chloride (452-07-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, HBF₄, (ii) (thermolysis)

2: Cl₂ / Irradiation

With chlorine;

Reference yield:

→ 2,4-difluorobenzyl chloride (452-07-3)

Guidance literature:

upstream raw materials:

3-fluoro-6-methylaniline

formaldehyd

1,3-Difluorobenzene

Downstream raw materials:

(2,4-difluorophenyl)acetonitrile

5,6-bis(4-methoxyphenyl)-2-(2,4-difluorobenzyl)-2H-pyridazin-3-one

2,4-Difluoro-benzylamine

1-(2,4-difluoro-benzyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "[4,5]-fused-3,6-disubstituted-pyridazines with sulfur-containing substituents in position three for the treatment of neoplasia". . . Retrieved 2008/06/13.