2-Bromothiobenzamide

Base Information

• Chemical Name: 2-Bromothiobenzamide
• CAS No.: 30216-44-5
• Molecular Formula: C7H6BrNS
• Molecular Weight: 216.101
• Hs Code.: 29309099
• European Community (EC) Number: 622-435-0
• DSSTox Substance ID: DTXSID00184319
• Mol file: 30216-44-5.mol

Synonyms:2-Bromothiobenzamide;30216-44-5;2-Bromobenzothioamide;2-bromobenzenecarbothioamide;Thiobenzamide, 2-bromo-;2-Bromo-(thiobenzamide);2-Bromothiobenzamide, 97%;SCHEMBL2554580;2-bromobenzene-1-carbothioamide;Benzenecarbothioamide, 2-bromo-;SCHEMBL13946311;DTXSID00184319;GHCQWSAFBXLYSO-UHFFFAOYSA-N;MFCD04973314;AKOS009311521;AB21272;BS-22871;CS-0207184;FT-0638911;EN300-101885;V10037;A820261;J-508558

Chemical Property of 2-Bromothiobenzamide

Chemical Property:

• Appearance/Colour: White, beige to yellow powder
• Vapor Pressure: 0.000746mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.683
• Boiling Point: 307 °C at 760 mmHg
• Flash Point: 139.5 °C
• PSA: 58.11000
• Density: 1.634 g/cm³
• LogP: 2.78360
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 214.94043
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-Bromothiobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=S)N)Br

Technology Process of 2-Bromothiobenzamide

There total 4 articles about 2-Bromothiobenzamide 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: 84.0%

2-bromobenzaldehyde oxime (34158-72-0,52707-51-4,52707-56-9) → 2-bromobenzothioamide (30216-44-5)

Guidance literature:

With ammonium sulfide; trichlorotitanium(IV) trifluoromethanesulfonate; 1-n-butyl-3-methylimidazolim bromide; at 80 ℃; for 2.3h; chemoselective reaction; Ionic liquid;

DOI:10.1016/j.tetlet.2008.09.084

Reference yield: 75.7%

→ 2-bromobenzothioamide (30216-44-5)

Guidance literature:

With sodium hydrogen sulfide; carbon dioxide; In N,N-dimethyl-formamide; at 25 ℃; under 7500.75 Torr; Autoclave;

Reference yield: 62.0%

o-cyanobromobenzene (2042-37-7) → 2-bromobenzothioamide (30216-44-5)

Guidance literature:

o-cyanobromobenzene; With Lawessons reagent; boron trifluoride diethyl etherate; In diethyl ether; toluene; at 50 ℃; for 14h; Inert atmosphere;

With sodium hydrogencarbonate; In diethyl ether; toluene; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1055/s-0028-1083253

upstream raw materials:

o-cyanobromobenzene

2-Bromobenzamide

2-bromobenzaldehyde oxime

Downstream raw materials:

2-(2-bromophenyl)thiazole

methyl 2-(2-bromophenyl)-4-(dibromomethyl)thiazole-5-carboxylate

methyl 2-(2-bromophenyl)-4-methylthiazole-5-carboxylate

4-chloromethyl-2-(2-bromophenyl)thiazole