2-Bromobenzoyl chloride

Base Information

• Chemical Name: 2-Bromobenzoyl chloride
• CAS No.: 7154-66-7
• Molecular Formula: C7H4 Br Cl O
• Molecular Weight: 219.465
• Hs Code.: 2916399090
• European Community (EC) Number: 230-507-4
• NSC Number: 73706
• UNII: SEL7RD3BBR
• DSSTox Substance ID: DTXSID80221776
• Nikkaji Number: J41.858G
• Wikidata: Q72451849
• Mol file: 7154-66-7.mol

Synonyms:2-Bromobenzoyl chloride;7154-66-7;Benzoyl chloride, 2-bromo-;BENZOYL CHLORIDE, o-BROMO-;o-Bromobenzoyl chloride;2-bromo-benzoyl chloride;SEL7RD3BBR;EINECS 230-507-4;MFCD00000655;NSC 73706;BRN 0508506;NSC-73706;2-bromobenzene-1-carbonyl chloride;o-Brombenzoylchlorid;bromo benzoylchloride;o-bromobenzoylchloride;o-bromo benzoyl chloride;UNII-SEL7RD3BBR;bromobenzoic acid chloride;WLN: GVR BE;2-bromobenzoic acid chloride;SCHEMBL123057;2-Bromobenzoyl chloride, 98%;DTXSID80221776;2-bromo-1-benzenecarbonyl chloride;NSC73706;STL445664;AKOS000268709;LS-42592;PS-10798;B1238;BB 0267985;FT-0611536;EN300-19179;I10233;A837240;F2190-0064

Chemical Property of 2-Bromobenzoyl chloride

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
• Vapor Pressure: 0.0283mmHg at 25°C
• Melting Point: 11 ºC
• Refractive Index: n20/D 1.597(lit.)
• Boiling Point: 245.7 °C at 760 mmHg
• Flash Point: 107 ºC
• PSA: 17.07000
• Density: 1.67
• LogP: 2.82810
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.91341
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

2-Bromobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Bromobenzoyl chloride

There total 9 articles about 2-Bromobenzoyl 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: 100.0%

2-bromobenzoic-acid (88-65-3) → 2-bromobenzoic acid chloride (7154-66-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 91.0%

oxalyl dichloride (79-37-8) + 2-bromobenzoic-acid (88-65-3) → 2-bromobenzoic acid chloride (7154-66-7)

Guidance literature:

In tetrahydrofuran; N-methyl-acetamide;

Reference yield:

4-Bromobenzoic acid (586-76-5) → 2-bromobenzoic acid chloride (7154-66-7)

Guidance literature:

With thionyl chloride;

upstream raw materials:

oxalyl dichloride

2-bromobenzoic-acid

bromobenzene

4-Bromobenzoic acid

Downstream raw materials:

(2-Bromo-phenyl)-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methanone

1-(2-bromo-phenyl)-pentan-1-one

2-bromo-benzoyl azide

2-(2-bromophenyl)-4,5-dihydro-1,3-oxazole

Refernces

• 1、 Suginome, Michinori,Yamamoto, Takeshi,Yoshinaga, Yukako. "Stereoinvertive C–C Bond Formation at the Boron-Bound Stereogenic Centers through Copper-Bipyridine-Catalyzed Intramolecular Coupling of α-Aminobenzylboronic Esters". supporting information. p. 7251 - 7255. Retrieved 2020/03/23.
• 2、 Ageshina, Alexandra A.,Chesnokov, Gleb A.,Topchiy, Maxim A.,Alabugin, Igor V.,Nechaev, Mikhail S.,Asachenko, Andrey F.. "Making endo-cyclizations favorable again: A conceptually new synthetic approach to benzotriazoles via azide group directed lithiation/cyclization of 2-azidoaryl bromides". supporting information. p. 4523 - 4534. Retrieved 2019/05/17.