2-Fluorobenzyl chloride

Base Information

• Chemical Name: 2-Fluorobenzyl chloride
• CAS No.: 345-35-7
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.576
• Hs Code.: 29036990
• European Community (EC) Number: 206-460-0
• NSC Number: 88295
• DSSTox Substance ID: DTXSID9059838
• Nikkaji Number: J32I
• Wikidata: Q72479314
• Mol file: 345-35-7.mol

Synonyms:2-Fluorobenzyl chloride;345-35-7;1-(Chloromethyl)-2-fluorobenzene;O-FLUOROBENZYL CHLORIDE;alpha-Chloro-o-fluorotoluene;Benzene, 1-(chloromethyl)-2-fluoro-;alpha-Chloro-2-fluorotoluene;1-Chloromethyl-2-fluoro-benzene;1-Chloromethyl-2-fluorobenzene;Toluene, alpha-chloro-o-fluoro-;EINECS 206-460-0;NSC 88295;2-fluorobenzylchloride;2-flourobenzyl chloride;o-fluorobenzylchloride;2-fluoro-benzyl chloride;NCIOpen2_001365;2-fluorophenylmethyl chloride;SCHEMBL69225;.alpha.-Chloro-o-fluorotoluene;2-Fluorobenzyl chloride, 98%;.alpha.-Chloro-2-fluorotoluene;DTXSID9059838;MOBRMRJUKNQBMY-UHFFFAOYSA-;1-(chloromethyl)-2-fluoro-benzen;NSC88295;Toluene, .alpha.-chloro-o-fluoro-;MFCD00000892;NSC-88295;STL183090;AKOS000119256;AM81464;AC-10797;F0211;FT-0612421;EN300-18207;A25292;W-106731;F2190-0268

Chemical Property of 2-Fluorobenzyl chloride

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 1.47mmHg at 25°C
• Melting Point: 36-38 °C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 176.4 °C at 760 mmHg
• Flash Point: 57.2 °C
• PSA: 0.00000
• Density: 1.191 g/cm³
• LogP: 2.56450
• Storage Temp.: Store at
• Sensitive.: Lachrymatory
• Solubility.: 0.416g/l insoluble
• Water Solubility.: 416.4mg/L(25 oC)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.0142060
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluorobenzyl chloride

There total 7 articles about 2-Fluorobenzyl 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: 100.0%

→ 2-fluorobenzyl chloride (345-35-7)

Guidance literature:

With thionyl chloride; In dichloromethane; at 25 - 30 ℃; for 2h; Inert atmosphere; Cooling;

Reference yield: 80.0%

2-fluorobenzyl alcohol (446-51-5) → 2-fluorobenzyl chloride (345-35-7)

Guidance literature:

With N,N-dimethyl-formamide; 2-Fluorobenzoyl chloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1002/anie.201604921

Reference yield: 36.0%

2-Fluorotoluene (95-52-3) → 2-fluorobenzyl chloride (345-35-7)

Guidance literature:

With iron(II) chloride tetrahydrate; tert-butylhypochlorite; at 20 ℃; for 3h; Reagent/catalyst; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.jfluchem.2019.109346

upstream raw materials:

2-Fluorotoluene

2-fluorobenzyl alcohol

o-fluorobenzyl ion

hydrogenchloride

Downstream raw materials:

1-benzyl-3-(2-fluorobenzyl)-3-pyrrolidinol

2-benzyl-4-(2-fluorobenzyl)-1,2,3,4-tetrahydro-4(1H)-isoquinolinol

4-(2-fluorobenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-4(1H)-isoquinolinol

(R)-(-)-N-(2-fluorobenzyl)-2-aminobutan-1-ol

Refernces

• 1、 -. "FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS". Page/Page column 25; 26. . Retrieved 2017/03/28.
• 2、 -. "2-silyloxy-tetrahydrothienopyridine, salt thereof and process for preparing the same". . . Retrieved 2008/06/13.