Bromopropylate

Base Information

• Chemical Name: Bromopropylate
• CAS No.: 18181-80-1
• Deprecated CAS: 39394-17-7
• Molecular Formula: C17H16Br2O3
• Molecular Weight: 428.12
• Hs Code.: 29181990
• European Community (EC) Number: 242-070-7
• UNII: 3U468ZM257
• DSSTox Substance ID: DTXSID1034397
• Nikkaji Number: J4.435K
• Wikipedia: Bromopropylate
• Wikidata: Q2926021
• ChEMBL ID: CHEMBL1867780
• Mol file: 18181-80-1.mol

Synonyms:bromopropylate;Folbex;Folbex-VA;isopropyl 4,4'-dibromobenzilate

Chemical Property of Bromopropylate

Chemical Property:

• Appearance/Colour: Yellowish crystals
• Vapor Pressure: 5.35E-11mmHg at 25°C
• Melting Point: 77oC
• Refractive Index: 1.601
• Boiling Point: 504.469 °C at 760 mmHg
• PKA: 11.18±0.29(Predicted)
• Flash Point: 258.894 °C
• PSA: 46.53000
• Density: 1.589 g/cm³
• LogP: 4.39910
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: <0.5mg/L(20 oC)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 427.94457
• Heavy Atom Count: 22
• Complexity: 348

Purity/Quality:

98% ^*data from raw suppliers

Bromopropylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
• Uses: Acaricide. Bromopropylate is a chemical compound used as an acaricide against spider mites in apiaries and on fruit crops such as citrus and grapes.

Technology Process of Bromopropylate

There total 1 articles about Bromopropylate 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:

→ bromopropylate (18181-80-1)

Guidance literature:

Bis-(4-bromphenyl)-essigsaeure-isopropylester, O2, Tetramethylammoniumhydroxid;

Reference yield: 92.0%

bromopropylate (18181-80-1) → 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid (30738-49-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/jf802821n

Reference yield: 90.0%

bromopropylate (18181-80-1) → isopropyl 2,2-bis(4-bromophenyl)-2-chloroacetate (1103496-36-1)

Guidance literature:

With thionyl chloride; Inert atmosphere; Heating;

DOI:10.1021/jf802821n

Downstream raw materials:

isopropyl 2,2-bis(4-bromophenyl)-2-chloroacetate

2,2-bis(4-bromophenyl)-2-hydroxyacetic acid

Benzilic acid

Refernces