4-Bromomethyl benzoyl bromide

Base Information

• Chemical Name: 4-Bromomethyl benzoyl bromide
• CAS No.: 876-07-3
• Molecular Formula: C8H6Br2O
• Molecular Weight: 277.943
• Hs Code.: 2916399090
• European Community (EC) Number: 627-805-5
• DSSTox Substance ID: DTXSID60405113
• Wikidata: Q82209510
• Mol file: 876-07-3.mol

Synonyms:4-Bromomethyl benzoyl bromide;876-07-3;4-(bromomethyl)benzoyl Bromide;4-Bromomethyl benzoyl bromide, 96%;4-BROMOMETHYLBENZOYL BROMIDE;4-bromomethyl benzoylbromide;SCHEMBL35800;4-Bromomethyl-benzoyl bromide;DTXSID60405113;VUYGJYAPDGKPBF-UHFFFAOYSA-N;4-BROMOMETHYLBENZOYLBROMIDE96;MFCD00045026;AKOS015889346;4-BROMOMETHYL BENZOYL BROMIDE 96;A842290

Chemical Property of 4-Bromomethyl benzoyl bromide

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Melting Point: 57-61oC(lit.)
• Boiling Point: 100-112oC0.5 mm Hg(lit.)
• Flash Point: 119.2oC
• PSA: 17.07000
• Density: 1.889g/cm3
• LogP: 3.11660
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.87649
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

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

4-Bromomethyl benzoyl bromide 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 35
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)C(=O)Br
• Uses: 4-Bromomethyl benzoyl bromide may be used in the preparation of 4-(bromomethyl)-N-[(S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]benzamide and α-methoxy-ω-4-(bromomethyl) benzoic acid ester-poly(ethylene glycol) 2000.

Technology Process of 4-Bromomethyl benzoyl bromide

There total 3 articles about 4-Bromomethyl benzoyl bromide 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:

4-methyl-benzoyl chloride (874-60-2) → 4-(bromomethyl)benzoyl bromide (876-07-3)

Guidance literature:

With bromine; at 185 - 190 ℃;

Reference yield:

bromine (7726-95-6) + 4-methyl-benzoyl chloride (874-60-2) → 4-bromomethylbenzoyl chloride (52780-16-2) + 4-(bromomethyl)benzoyl bromide (876-07-3)

Guidance literature:

at 185 - 190 ℃;

Reference yield:

→ 4-(bromomethyl)benzoyl bromide (876-07-3)

Guidance literature:

p-Toluoylchlorid, Br2, h*ν;

upstream raw materials:

4-methyl-benzoyl chloride

bromine

Downstream raw materials:

Ethyl 4-(bromomethyl)benzoate

C₃₇H₄₉N₃O₄

C₂₄H₃₂N₂O₃

C₃₄H₄₃N₃O₄