6-Chloro-1,2-benzisoxazole

Base Information

Chemical Name:6-Chloro-1,2-benzisoxazole
CAS No.:39835-07-9
Molecular Formula:C7H4ClNO
Molecular Weight:153.568
Hs Code.:
DSSTox Substance ID:DTXSID20602348
Nikkaji Number:J2.073.181H
Wikidata:Q82499354
Mol file:39835-07-9.mol

Synonyms:39835-07-9;6-CHLORO-1,2-BENZISOXAZOLE;6-CHLOROBENZO[D]ISOXAZOLE;6-chloro-1,2-benzoxazole;SCHEMBL3557935;DTXSID20602348;AKOS006292083;AB25992;DB-359335;CS-0269309;EN300-1460832;A824758

Suppliers and Price of 6-Chloro-1,2-benzisoxazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
6-Chlorobenzo[d]isoxazole 97%
1g
$ 982.00

Total 7 raw suppliers

Chemical Property of 6-Chloro-1,2-benzisoxazole

Chemical Property:

Boiling Point:251.2±13.0 °C(Predicted)
PKA:-3.32±0.30(Predicted)
PSA：26.03000
Density:1.377±0.06 g/cm3(Predicted)
LogP:2.48120
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:152.9981414
Heavy Atom Count:10
Complexity:131

Purity/Quality:

97% ^*data from raw suppliers

6-Chlorobenzo[d]isoxazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Cl)ON=C2

Technology Process of 6-Chloro-1,2-benzisoxazole

There total 2 articles about 6-Chloro-1,2-benzisoxazole 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:

: 75407-48-6
4-chloro-2-hydroxybenzaldehyde oxime

: 39835-07-9
6-chlorobenzisoxazole

Guidance literature:: With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 0.0166667h;
DOI:10.1039/c9ob01366k

Reference yield:

: 39835-07-9
6-chlorobenzisoxazole

Guidance literature:: /BRN= 99845/, H2NOSO3H;
DOI:10.1021/jo00953a006

Reference yield: 92.0%

: 39835-07-9
6-chlorobenzisoxazole

: 93139-50-5
3-phenylpropionic acid tert-butyl ester

: 2-(4-chloro-2-hydroxyphenyl)-4-phenyl-6H-1,3-oxazin-6-one

Guidance literature:: With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); silver(I) triflimide; In 1,2-dichloro-ethane; at 80 ℃; for 36h; Inert atmosphere;
DOI:10.1021/acs.orglett.8b02663