2,6-Dichlorobenzoxazole

Base Information

• Chemical Name: 2,6-Dichlorobenzoxazole
• CAS No.: 3621-82-7
• Molecular Formula: C7H3Cl2NO
• Molecular Weight: 188.013
• Hs Code.: 2934999090
• European Community (EC) Number: 222-818-9
• DSSTox Substance ID: DTXSID60189769
• Nikkaji Number: J205.548A
• Wikidata: Q72465568
• Mol file: 3621-82-7.mol

Synonyms:2,6-Dichlorobenzoxazole;3621-82-7;2,6-dichloro-1,3-benzoxazole;benzoxazole, 2,6-dichloro-;2,6-DICHLOROBENZO[D]OXAZOLE;EINECS 222-818-9;MFCD07368635;EC 222-818-9;2,6-dichlorobenzooxazole;2,6-dichloro benzoxazole;2,6-dichloro-benzoxazole;SCHEMBL895172;2,6-Dichloro-1,3-benzooxazole;DTXSID60189769;2,6-DICHLORO-BENZOOXAZOLE;2,6-dichlorobenzoxazole, AldrichCPR;AB2806;AKOS006346249;AB32054;AC-1590;CS-W019433;PS-5108;AM803779;SY005172;D3459;FT-0601388;EN300-330995;W-106635

Chemical Property of 2,6-Dichlorobenzoxazole

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.0516mmHg at 25°C
• Melting Point: 49-51 °C
• Refractive Index: 1.636
• Boiling Point: 242.9 °C at 760 mmHg
• PKA: -0.96±0.30(Predicted)
• Flash Point: 100.7 °C
• PSA: 26.03000
• Density: 1.522 g/cm³
• LogP: 3.13460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.9591691
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98.5% ^*data from raw suppliers

2,6-Dichlorobenzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)OC(=N2)Cl
• Uses: 2,6-Dichlorobenzoxazole is used in the synthesis of 2-(3-(2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy)propoxy)-5-(trifluoromethyl)benzo[d]oxazole, an insecticide against Spodoptera exigua.

Technology Process of 2,6-Dichlorobenzoxazole

There total 11 articles about 2,6-Dichlorobenzoxazole 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%

iron(III) chloride + 6-chlorobenzo[d]oxazole → 2,6-dichloro-1,3-benzoxazole (3621-82-7)

Guidance literature:

With phosphorus pentachloride; In chlorobenzene;

Reference yield: 98.4%

6-chloro-2-mercaptobenzoxazole (22876-20-6) → 2,6-dichloro-1,3-benzoxazole (3621-82-7)

Guidance literature:

With bis(trichloromethyl) carbonate; In toluene; at 50 - 105 ℃; Solvent; Temperature;

Reference yield: 95.2%

6-chlorobenzo[d]oxazol-2(3H)-one (19932-84-4) → 2,6-dichloro-1,3-benzoxazole (3621-82-7)

Guidance literature:

With iron(III) chloride; phosphorus pentachloride; In toluene; at 60 ℃; for 0.5h; Temperature; Reagent/catalyst;

upstream raw materials:

6-chloro-2-mercaptobenzoxazole

2-amino-5-chlorophenol

6-chlorobenzo[d]oxazol-2(3H)-one

1,2-dichloro-benzene

Downstream raw materials:

fenoxaprop-p-ethyl

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Refernces

• 1、 -. "HMOX1 inducers". Page/Page column 63; 130. . Retrieved 2020/09/18.
• 2、 -. "Herbicide composition containing metamifop and quinclorac". Paragraph 0024; 0027; 0036; 0042; 0055. . Retrieved 2019/03/08.