3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride

Base Information

• Chemical Name: 3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride
• CAS No.: 351003-46-8
• Molecular Formula: C₇H₃BrClF₃O₂S
• Molecular Weight: 323.518
• Hs Code.: 29049090
• European Community (EC) Number: 624-198-9
• DSSTox Substance ID: DTXSID70381030
• Nikkaji Number: J3.204.814E
• Wikidata: Q72513377
• Mol file: 351003-46-8.mol

Synonyms:351003-46-8;3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride;3-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride;3-Bromo-5-(trifluoromethyl)benzenesulphonylchloride;3-bromo-5-(trifluoromethyl)benzene sulphonyl chloride;Benzenesulfonylchloride, 3-bromo-5-(trifluoromethyl)-;3-bromo-5-trifluoromethylphenylsulfonyl chloride;3-bromo-5-(trifluoromethyl)benzenesulfonylchloride;3-bromo-5-(trifluoromethyl)benzenesulphonyl chloride;MFCD03094393;3-Bromo-5-trifluoromethyl-benzenesulfonyl chloride;3-bromo-5-trifluoromethylphenylsulphonyl chloride;SCHEMBL700367;AMY3000;DTXSID70381030;BBL102214;CL8742;STL556013;AKOS005257856;AB13325;DS-13409;A6159;CS-0157689;FT-0615170;EN300-114307;3-bromo-5-trifluoromethylbenzenesulphonyl chloride;3-bromo-5-(trifluoromethyl)-benzenesulfonyl chloride;J-019924;3-bromo-5-(trifluoromethyl)-benzene sulphonyl chloride;3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride, 97%

Chemical Property of 3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00174mmHg at 25°C
• Refractive Index: n20/D 1.5240(lit.)
• Boiling Point: 302.8 °C at 760 mmHg
• Flash Point: 136.909 °C
• PSA: 42.52000
• Density: 1.84 g/cm³
• LogP: 4.47620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 321.86778
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

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

3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C,Xi
• Statements: 14-34
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C(F)(F)F

Technology Process of 3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride

There total 1 articles about 3-Bromo-5-(trifluoromethyl)benzenesulfonyl 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:

[3-bromo-5-(trifluoromethyl)phenyl]amine (54962-75-3) → 3-bromo-5-(trifluoromethyl)benzene-1-sulphonyl chloride (351003-46-8)

Guidance literature:

[3-bromo-5-(trifluoromethyl)phenyl]amine; With hydrogenchloride; sodium nitrite; In water; at 5 ℃;

With sulfur dioxide; acetic acid; copper(l) chloride; In water; at 20 ℃; for 2h;

DOI:10.1021/ml2000627

Reference yield: 96.0%

3-bromo-5-(trifluoromethyl)benzene-1-sulphonyl chloride (351003-46-8) + (S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]decane (1344087-80-4) → (S)-8-(3-bromo-5-(trifluoromethyl)phenylsulfonyl)-2-methyl-1,4-dioxa-8-azaspiro[4.5]decane (1574321-98-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ml500039g

Reference yield: 73.0%

3-bromo-5-(trifluoromethyl)benzene-1-sulphonyl chloride (351003-46-8) + 2-(3-Fluorophenyl)ethylamine (404-70-6) → 3-bromo-N-[2-(3-fluorophenyl)-ethyl]-5-trifluoromethyl-benzenesulfonamide

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.ejmech.2018.04.018

upstream raw materials:

[3-bromo-5-(trifluoromethyl)phenyl]amine

Downstream raw materials:

(7R,8aS)-2-{[3-bromo-5-(trifluoromethyl)phenyl]sulfonyl}-7-[(5-cyclopropylpyrazin-2-yl)oxy]octahydropyrrolo[1,2-a]pyrazine

8-{[3-bromo-5-(trifluoromethyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]decan-1-one

8-{[3-methyl-5-(trifluoromethyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]decan-1-one

(S)-2-methyl-8-(5-(trifluoromethyl)biphenyl-3-ylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

Refernces