7-(Bromomethyl)benzo[b]thiophene

Base Information

• Chemical Name: 7-(Bromomethyl)benzo[b]thiophene
• CAS No.: 10133-24-1
• Molecular Formula: C9H7 Br S
• Molecular Weight: 227.12088
• Hs Code.: 2934999090
• European Community (EC) Number: 689-741-4
• DSSTox Substance ID: DTXSID90444393
• Wikidata: Q82262520
• Mol file: 10133-24-1.mol

Synonyms:7-(bromomethyl)benzo[b]thiophene;10133-24-1;7-(Bromomethyl)-1-benzothiophene;7-bromomethyl-benzo[b]thiophene;Benzo[b]thiophene, 7-(bromomethyl)-;7-Bromomethylbenzo[b]thiophene;SCHEMBL1281862;DTXSID90444393;CBWUJYGWPDPIFY-UHFFFAOYSA-N;MFCD08706224;AS-33318;FT-0715796;EN300-1273469;W-204403

Chemical Property of 7-(Bromomethyl)benzo[b]thiophene

Chemical Property:

• Melting Point: 44 °C
• Boiling Point: 135-137 °C
• PSA: 28.24000
• Density: 1.593±0.06 g/cm3(Predicted)
• LogP: 3.79620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.94518
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

7-(Bromomethyl)benzo[b]thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)CBr)SC=C2

Technology Process of 7-(Bromomethyl)benzo[b]thiophene

There total 3 articles about 7-(Bromomethyl)benzo[b]thiophene 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: 61.0%

7-methyl-benzo[b]thiophene (14315-15-2) → 7-(bromomethyl)benzothiophene (10133-24-1)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 110 ℃; for 1h; Irradiation;

Reference yield:

7-methyl-benzo[b]thiophene (14315-15-2) + azobisisobutyronitrile (34241-39-9) → 7-(bromomethyl)benzothiophene (10133-24-1)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield:

→ 7-(bromomethyl)benzothiophene (10133-24-1)

Guidance literature:

upstream raw materials:

7-methyl-benzo[b]thiophene

azobisisobutyronitrile

Downstream raw materials:

C₁₉H₁₇N₃S

C₁₉H₁₅Cl₂N₃S

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