4-Bromobenzyl alcohol

Base Information

• Chemical Name: 4-Bromobenzyl alcohol
• CAS No.: 873-75-6
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 29062990
• European Community (EC) Number: 212-851-7
• DSSTox Substance ID: DTXSID50236276
• Nikkaji Number: J149.813D
• Wikidata: Q27093776
• Metabolomics Workbench ID: 147376
• ChEMBL ID: CHEMBL184410
• Mol file: 873-75-6.mol

Synonyms:4-bromobenzyl alcohol;para-bromobenzyl alcohol

Chemical Property of 4-Bromobenzyl alcohol

Chemical Property:

• Appearance/Colour: White to slightly beige crystal
• Vapor Pressure: 0.00397mmHg at 25°C
• Melting Point: 75-77 °C
• Refractive Index: 1.591
• Boiling Point: 267.8 °C at 760 mmHg
• PKA: 14.16±0.10(Predicted)
• Flash Point: 115.7 °C
• PSA: 20.23000
• Density: 1.565 g/cm³
• LogP: 1.94140
• Storage Temp.: Store below +30°C.
• Solubility.: dioxane: soluble1g/10 mL, clear to faintly turbid, colorless to
• Water Solubility.: 2.31g/L at 20℃
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)Br
• Uses: 4-Bromobenzyl alcohol was used in the synthesis of:hydroxyl end functionalized, substituted polyfluoreneamphiphilic, symmetric rod-coil, triblock copolymer of poly(9,9-didodecylfluorene-2,7-diyl) and poly(hydroxyl ethyl methacrylate)

Technology Process of 4-Bromobenzyl alcohol

There total 92 articles about 4-Bromobenzyl alcohol 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: 87.0%

4-bromo-benzaldehyde (1122-91-4) → 4-Bromobenzoic acid (586-76-5) + 4-bromobenzenemethanol (873-75-6) + (4’-bromobenzyl) 4-bromobenzoate (110929-20-9)

Guidance literature:

With aluminum (III) chloride; triethylamine; In dichloromethane; at 20 ℃; for 48h;

DOI:10.1007/s00706-021-02785-9

Reference yield: 82.0%

4-bromo-benzaldehyde (1122-91-4) → p-bromobenzamide (698-67-9) + 4-bromobenzenemethanol (873-75-6)

Guidance literature:

4-bromo-benzaldehyde; With μ-Cl; In dichloromethane; at 20 ℃; for 48h;

With hydrogenchloride;

DOI:10.1021/jo060063l

Reference yield: 73.0%

4-bromo-benzaldehyde (1122-91-4) → phenyl(4-bromophenyl)methanol (29334-16-5) + 4-Bromobenzoic acid (586-76-5) + 4-bromobenzenemethanol (873-75-6)

Guidance literature:

In diethyl ether; for 24h; Ambient temperature;

DOI:10.1016/0040-4039(95)00504-6

upstream raw materials:

1.4-dibromobenzene

4-Bromobenzoic acid

4-bromobenzyl acetate

4-bromo-benzaldehyde

Downstream raw materials:

2,6-dibromo-4-(4-bromo-benzyl)-phenol

bis(4-bromobenzyl) ether

4-bromo-benzaldehyde

p-bromobenzyl chloride