7-bromo-1H-indazole

Base Information

• Chemical Name: 7-bromo-1H-indazole
• CAS No.: 53857-58-2
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.034
• Hs Code.: 2933990090
• European Community (EC) Number: 640-934-1
• ChEMBL ID: CHEMBL439566
• DSSTox Substance ID: DTXSID40968630
• Wikidata: Q72457223
• Mol file: 53857-58-2.mol

Synonyms:7-bromo-1H-indazole;53857-58-2;7-Bromo-2H-indazole;7-Bromoindazole;845751-59-9;1H-Indazole, 7-bromo-;MFCD07371564;CHEMBL439566;7-Bromo-1H-indazole, 97%;SCHEMBL1855857;DTXSID40968630;KMHHWCPTROQUFM-UHFFFAOYSA-N;BCP00108;VIB75159;BBL101857;BDBM50209239;MFCD23134611;STL555654;AKOS005072291;AKOS016013628;CS-W020697;DC-0720;PB18788;PD183079;SY008426;DB-341945;A7822;AM20040663;CS-0166816;EN300-121714;O11630;A915037;J-519104;Z1116381744

Chemical Property of 7-bromo-1H-indazole

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Melting Point: 123-125 °C
• Refractive Index: 1.727
• Boiling Point: 333.8 °C at 760 mmHg
• PKA: 11.82±0.40(Predicted)
• Flash Point: 155.7 °C
• PSA: 28.68000
• Density: 1.77 g/cm³
• LogP: 2.32540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.96361
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Bromo-1H-indazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)NN=C2

Technology Process of 7-bromo-1H-indazole

There total 15 articles about 7-bromo-1H-indazole 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: 96.0%

(2-bromo-6-methylphenyl)[(1,1-dimethylethyl)thio]diazene (845751-60-2) → 7-bromo-2H-indazole (845751-59-9,53857-58-2)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; for 2h;

Reference yield: 63.0%

(2-bromo-6-methylphenyl)[(1,1-dimethylethyl)thio]diazene (845751-60-2) → 7-bromo-1H-indazole (53857-58-2)

Guidance literature:

(2-bromo-6-methylphenyl)[(1,1-dimethylethyl)thio]diazene; With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; for 2h;

With hydrogenchloride; In water; dimethyl sulfoxide; Cooling with ice;

Reference yield: 37.0%

1H-indazol-7-amine (21443-96-9) → 7-bromo-1H-indazole (53857-58-2)

Guidance literature:

1H-indazol-7-amine; With hydrogen bromide; sodium nitrite; In water; at -10 ℃; for 0.25h;

With copper(I) bromide; In water; at -5 - 20 ℃; for 2.25h;

upstream raw materials:

7-bromo-3-trimethylsilylindazole

2-bromo-6-methylaniline

1-bromo-3-methyl-2-nitro-benzene

2,3-dibromobenzene

Downstream raw materials:

7-bromo-1-(propane-2-yl)-1H-indazole

(1H-indazol-7-yl)boronic acid

7-bromo-2-methyl-2H-indazole-3-carboxylic acide

7-(2,4-dichlorophenyl)-2-methyl-2H-indazole-3-carbaldehyde

Refernces

• 1、 -. "3-(4-PIPERIDYL)-IMIDAZOLE DERIVATIVE". Paragraph 0106-0109. . Retrieved 2016/10/09.
• 2、 Bischoff, Francois,Berthelot, Didier,De Cleyn, Michel,MacDonald, Gregor,Minne, Garrett,Oehlrich, Daniel,Pieters, Serge,Surkyn, Michel,Trabanco, Andres A.,Tresadern, Gary,Van Brandt, Sven,Velter, Ingrid,Zaja, Mirko,Borghys, Herman,Masungi, Chantal,Mercken, Marc,Gijsen, Harrie J. M.. "Design and Synthesis of a Novel Series of Bicyclic Heterocycles As Potent γ-Secretase Modulators". supporting information. p. 9089 - 9106,18. Retrieved 2020/10/15.