1-Chloro-2-(chloromethyl)-3-fluorobenzene

Base Information

• Chemical Name: 1-Chloro-2-(chloromethyl)-3-fluorobenzene
• CAS No.: 55117-15-2
• Molecular Formula: C7H5Cl2F
• Molecular Weight: 179.021
• Hs Code.: 29039990
• European Community (EC) Number: 259-487-5
• UNII: A581KL6ZPN
• DSSTox Substance ID: DTXSID8038855
• Nikkaji Number: J208.254C
• Wikidata: Q27273654
• ChEMBL ID: CHEMBL3186001
• Mol file: 55117-15-2.mol

Synonyms:2-Chloro-6-fluorobenzyl chloride;55117-15-2;1-Chloro-2-(chloromethyl)-3-fluorobenzene;Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-;1-Chloro-2-chloromethyl-3-fluoro-benzene;UNII-A581KL6ZPN;1-Chloro-2-chloromethyl-3-fluorobenzene;alpha,2-Dichloro-6-fluorotoluene;EINECS 259-487-5;A581KL6ZPN;2-chloro-6-fluorobenzylchloride;DTXSID8038855;MFCD00000896;EC 259-487-5;SCHEMBL601569;2-chloro-6-fluorbenzyl chloride;CHEMBL3186001;DTXCID6018855;MJGOLNNLNQQIHR-UHFFFAOYSA-;2-chloro-6 fluorobenzyl chloride;6-chloro-2-fluorobenzyl chloride;2-chloro-6-fluoro-benzyl chloride;Tox21_301630;STL169084;AKOS000119542;2-Chloro-6-fluorobenzyl chloride, 98%;NCGC00255624-01;(2-chloro-6-fluorophenyl)methyl chloride;AC-10773;AM100940;PS-10662;.ALPHA.,2-DICHLORO-6-FLUOROTOLUENE;CAS-55117-15-2;FT-0611858;1-Chloro-2-(chloromethyl)-3-fluorobenzene #;EN300-18253;D78406;1-chloranyl-2-(chloromethyl)-3-fluoranyl-benzene;A830498;W-105585;Q27273654;Z57630011;F2190-0259

Chemical Property of 1-Chloro-2-(chloromethyl)-3-fluorobenzene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.441mmHg at 25°C
• Melting Point: 7 °C
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 208.5 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 0.00000
• Density: 1.343 g/cm³
• LogP: 3.21790
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.9752337
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99.9% ^*data from raw suppliers

2-Chloro-6-fluorobenzyl Chloride >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, N
• Hazard Codes: C,Xi,N
• Statements: 34-51/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CCl)F
• Uses: 2-Chloro-6-fluorobenzyl chloride was used:as alkylating reagent during the synthesis of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazolein the preparataion of 2-chloro-6-fluorobenzylamine, required for the synthesis of 9-substituted adeninein the preparation of aprinocid via reaction with adenine

Technology Process of 1-Chloro-2-(chloromethyl)-3-fluorobenzene

There total 3 articles about 1-Chloro-2-(chloromethyl)-3-fluorobenzene 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:

2-chloro-6-fluorotoluene (443-83-4) → 2-chloro-6 fluorobenzyl chloride (55117-15-2)

Guidance literature:

With sulfuryl dichloride; dibenzoyl peroxide;

Reference yield:

(2-chloro-6-fluorophenyl)methanol (56456-50-9) → 2-chloro-6 fluorobenzyl chloride (55117-15-2)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00293a008

Reference yield:

→ 1-(2-Chloro-6-Fluorobenzylthio)-4-Phenylphthalazine (1003825-13-5) + 2-chloro-6 fluorobenzyl chloride (55117-15-2)

Guidance literature:

upstream raw materials:

(2-chloro-6-fluorophenyl)methanol

2-chloro-6-fluorotoluene

Downstream raw materials:

1-(2-chloro-6-fluoro-benzyl)-piperidine-4-carboxylic acid amide

1-(2-chloro-6-fluorobenzyl)-2-(dimethylaminophenylmethyl)cyclohexanol, hydrochloride

9-(2-chloro-6-fluorobenzyl)-6-dimethylaminopurine

[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-ylamine

Refernces

• 1、 -. "Aralkyltriazole compounds". . . Retrieved 2008/06/13.