4-Bromo-3-methylbenzoyl chloride

Base Information

• Chemical Name: 4-Bromo-3-methylbenzoyl chloride
• CAS No.: 21900-25-4
• Molecular Formula: C8H6 Br Cl O
• Molecular Weight: 233.492
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70427386
• Nikkaji Number: J3.307.802A
• Wikidata: Q82240043
• Mol file: 21900-25-4.mol

Synonyms:4-bromo-3-methylbenzoyl chloride;21900-25-4;3-methyl-4-bromo benzoyl chloride;4-Bromo-3-Methyl-Benzoyl Chloride;Benzoyl chloride, 4-bromo-3-methyl-;4-BROMO-3-METHYLBENZOYLCHLORIDE;SCHEMBL1707248;3-methyl-4-bromobenzoyl chloride;DTXSID70427386;PVXGJCNXMPLCJU-UHFFFAOYSA-N;4-bromo-3-methyl benzoyl chloride;WAA90025;MFCD01075724;4-Bromo-3-methylbenzoic acid chloride;AKOS022944902;FS-4227;FT-0617827;4-Bromo-3-methylbenzoyl chloride, AldrichCPR

Chemical Property of 4-Bromo-3-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.00472mmHg at 25°C
• Melting Point: 27-28°C
• Refractive Index: 1.575
• Boiling Point: 145°C 20mm
• Flash Point: 121.2°C
• PSA: 17.07000
• Density: 1.574g/cm³
• LogP: 3.13650
• Sensitive.: Moisture Sensitive
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%Min ^*data from raw suppliers

4-Bromo-3-methylbenzoylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xn,N
• Statements: 34-50-22
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)Cl)Br

Technology Process of 4-Bromo-3-methylbenzoyl chloride

There total 1 articles about 4-Bromo-3-methylbenzoyl chloride 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-bromo-3-methylbenzoic acid (7697-28-1) → 4-bromo-3-methylbenzoyl chloride (21900-25-4)

Guidance literature:

With thionyl chloride;

Reference yield: 99.0%

4-bromo-3-methylbenzoyl chloride (21900-25-4) → 4-bromo-N'-(4-bromo-3-methylbenzoyl)-3-methylbenzohydrazide

Guidance literature:

With hydrazine hydrate; N-ethyl-N,N-diisopropylamine; In chloroform; at 23 ℃; for 18h; Cooling with ice;

Reference yield: 95.0%

4-bromo-3-methylbenzoyl chloride (21900-25-4) + 2,2-dimethoxyethylamine (22483-09-6) → 4-bromo-N-(2,2-dimethoxy-ethyl)-3-methyl-benzamide

Guidance literature:

With potassium hydrogencarbonate; In acetone; at 0 - 20 ℃; for 4.5h;

DOI:10.1081/SCC-120006015

upstream raw materials:

4-bromo-3-methylbenzoic acid

Downstream raw materials:

3-methyl-4-bromo benzophenone

(4-Bromo-3-methyl-phenyl)-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methanone

4-bromo-N-methoxy-3,N-dimethylbenzamide

2-(4-bromo-3-methylphenyl)oxazole

Refernces

• 1、 Yang, Long,Li, Shangda,Cai, Lei,Ding, Yongzheng,Fu, Lei,Cai, Zhihua,Ji, Huafang,Li, Gang. "Palladium-Catalyzed C-H Trifluoroethoxylation of N-Sulfonylbenzamides". supporting information. p. 2746 - 2749. Retrieved 2017/05/24.
• 2、 -. "Silicon and germanium dyes for use in genetic identity". . . Retrieved 2015/11/16.