2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

Base Information

Chemical Name:2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile
CAS No.:908111-29-5
Molecular Formula:C17H16BrN3O
Molecular Weight:358.238
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70474431
Wikidata:Q82304443
Mol file:908111-29-5.mol

Synonyms:2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile;908111-29-5;2-bromo-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile;SCHEMBL1219080;DTXSID70474431;OUMVYNDKNCVRIK-UHFFFAOYSA-N;2-bromo-4-(6,6-dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-benzonitrile;2-Bromo-4-(6,6-dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-benzonitrile

Suppliers and Price of 2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

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
2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile 95+%
1g
$ 772.00

Chemenu
2-bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile 95%
1g
$ 729.00

American Custom Chemicals Corporation
2-BROMO-4-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL)BENZONITRILE 95.00%
5MG
$ 498.67

Alichem
2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile
1g
$ 653.12

Total 5 raw suppliers

Chemical Property of 2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

Chemical Property:

Melting Point:196.8-198.2 °C
Boiling Point:509.3±50.0 °C(Predicted)
PKA:-2.74±0.40(Predicted)
PSA：58.68000
Density:1.45±0.1 g/cm3(Predicted)
LogP:3.96998
Storage Temp.:2-8°C
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:357.04767
Heavy Atom Count:22
Complexity:511

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C#N)Br

Technology Process of 2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

There total 6 articles about 2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile 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: 89.0%