6-bromo-1H-indene

Base Information

• Chemical Name: 6-bromo-1H-indene
• CAS No.: 33065-61-1
• Molecular Formula: C9H7 Br
• Molecular Weight: 195.059
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10506649
• Nikkaji Number: J1.900.024I
• Wikidata: Q72457285
• Mol file: 33065-61-1.mol

Synonyms:6-bromo-1H-indene;33065-61-1;1H-Indene, 6-bromo-;MFCD08234616;6-bromoindene;1H-INDENE,6-BROMO-;5-BROMO-3H-INDENE;SCHEMBL1478133;6-Bromo-1H-indene, AldrichCPR;DTXSID10506649;BIRDZFUEYJFWNV-UHFFFAOYSA-N;AMY23681;BCP32412;AKOS006284009;CS-W019162;DS-6302;SY045653;FT-0758861;A25888;J-518302

Chemical Property of 6-bromo-1H-indene

Chemical Property:

• Boiling Point: 245℃
• Flash Point: 106℃
• PSA: 0.00000
• Density: 1.523
• LogP: 3.01840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 193.97311
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

6-bromo-1H-indene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C1C=C(C=C2)Br

Technology Process of 6-bromo-1H-indene

There total 9 articles about 6-bromo-1H-indene 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: 90.0%

5-Bromo-1-indanone (34598-49-7) → 6-bromo-1H-indene (33065-61-1) + 5-bromo-1H-indene (75476-78-7)

Guidance literature:

5-Bromo-1-indanone; With lithium aluminium tetrahydride; at 0 ℃; for 2h;

With toluene-4-sulfonic acid; In benzene; at 75 ℃; for 2h;

DOI:10.1016/j.tetlet.2004.12.101

Reference yield:

ethanol (64-17-5) + 5-bromoindan-2-yl benzenesulfonate → 6-bromo-1H-indene (33065-61-1) + 5-Bromo-2-ethoxy-indan + benzenesulfonic acid (98-11-3)

Guidance literature:

With water; at 45 ℃; Rate constant; var. conc. of EtOH;

Reference yield:

methanol (67-56-1) + 5-bromoindan-2-yl benzenesulfonate → 6-bromo-1H-indene (33065-61-1) + 5-bromo-2-methoxy-2,3-dihydro-1H-indene + benzenesulfonic acid (98-11-3)

Guidance literature:

at 45 ℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;

upstream raw materials:

methanol

ethanol

5-Bromo-1-indanone

Downstream raw materials:

6-bromo-isoquinoline

6-bromoindan-1-one

6-[4'-(hydroxymethyl)phenyl]-1H-indene

6-ethylisoquinoline