89-75-8

Basic information

• Product Name: 2,4-Dichlorobenzoyl chloride
• Synonyms: 2,4-Dichlorobenzenecarbonylchloride;2,4-Dichlorobenzoicacidchloride;2,4-dichloro-benzoylchlorid;Benzoylchloride,2,4-dichloro-;BUTTPARK 45\07-36;BENZOYL CHLORIDE, 3,5-DICHLORO-;DICHLOROBENZOYLCHLORIDE-2,4;DICHLOROBENZOYLCHLORIDE(3,5-)
• CAS NO: 89-75-8
• Molecular Formula: C₇H₃Cl₃O
• Molecular Weight: 209.46
• EINECS: 201-936-4
• Product Categories: ACIDHALIDE;Organics;Acid Halides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 89-75-8.mol
• Article Data: 74

Chemical Properties

• Melting Point: 28 °C(lit.)
• Boiling Point: 150 °C34 mm Hg(lit.)
• Flash Point: 280 °F
• Appearance: Clear colorless to slightly colored/Liquid After Melting
• Density: 1.494 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.1 mm Hg ( 32 °C)
• Refractive Index: n20/D 1.592(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: soluble in Benzene,Ether,Toluene
• Water Solubility: Reacts with water. Soluble in toluene.
• Sensitive: Moisture Sensitive
• BRN: 608234
• CAS DataBase Reference: 2,4-Dichlorobenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dichlorobenzoyl chloride(89-75-8)
• EPA Substance Registry System: 2,4-Dichlorobenzoyl chloride(89-75-8)

Safety Data

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• RTECS: DM6636766
• F: 10-19-21
• TSCA: Yes
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 89-75-8(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to slightly colored liquid

Uses

2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.

InChI:InChI=1/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H

Upstream product

• 94-99-5 2,4-Dichlorobenzyl chloride 
• 13014-18-1 2,4-dichlorobenzotrichloride 
• 874-42-0 2,4-dichlorobenzaldeyhde 
• 50-79-3 2,5-dichlorobenzoic acid 
• 50-84-0 2,4 dichlorobenzoic acid 

Downstream Products

• 109556-32-3 2,4-dichloro-benzoic acid-(1-phenyl-2-pyrrolidino-ethyl ester); hydrochloride 
• 101166-88-5 2,4-dichloro-benzoic acid-(2,2,2-trichloro-1-cyano-ethyl ester) 
• 80981-50-6 Allyl 2,4-dichlorobenzoate 
• 33146-57-5 2,4,4'-trichloro-benzophenone 
• 98588-82-0 (2,4-dichloro-benzoyl)-dithiocarbamic acid methyl ester 
• 99074-02-9 2,4-dichloro-benzoic acid-(2,3-dibromo-propyl ester) 
• 99074-01-8 2,4-dichloro-benzoic acid-(β,β'-dibromo-isopropyl ester) 
• 101884-00-8 2,4-dichloro-benzoic acid acenaphthen-5-ylamide 
• 101605-06-5 1-[dichloroacetyl-(2,4-dichloro-benzyl)-amino]-2-(2,4-dichloro-benzoyloxy)-ethane 
• 101423-55-6 2-(2,4-dichloro-benzoylamino)-3-(5-nitro-[2]furyl)-acrylic acid ethyl ester 

Relevant articles and documents

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Synthesis, computational studies and enzyme inhibitory kinetics of benzothiazole-linked thioureas as mushroom tyrosinase inhibitors

Herein, we report synthesis of a set of benzothiazole-thiourea hybrids with aromatic and aliphatic side chains (BT1 to BT9) using an elegant synthetic strategy. The newly synthesized benzothiazole-thiourea conjugates were subjected to In-vitro tyrosinase inhibition and free radical scavenging activity. Majority of the compounds indicated inhibition considerably improved than the standard; compound (Kojic acid with IC50 = 16.8320 ± 1.1600 μM) BT2 with IC50 = 1.3431 ± 0.0254 μM was found to be the best inhibitor. A non-competitive mode of inhibition of BT2 was disclosed with Ki value of 2.8 μM. In order to study enzyme-inhibitor interactions SAR analysis molecular docking was carried out. The amino groups of thiourea were involved in hydrogen bonding with Glu322 showing the bond length of 1.74 and 2.70 ?, respectively. Moreover, the coupling of π-π was displayed between benzothiazole and benzene rings of His244 and His263, respectively. The outcome of this study might help to develop new inhibitors of melanogenesis, important for cosmetic and food products. Communicated by Ramaswamy H. Sarma.

Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides

Abstract: The present research paper reports the convenient synthesis, successful characterization, in vitro antibacterial, antifungal, antioxidant potency and biocompatibility of N-acyl-morpholine-4-carbothioamides (5a–5j). The biocompatible derivatives were found to be highly active against the tested bacterial and fungal strains. Moreover, some of the screened N-acyl-morpholine-4-carbothioamides exhibited excellent antioxidant potential. Docking simulation provided additional information about possibilities of their inhibitory potential against RNA. It has been predicted by in silico investigation of the binding pattern that compounds 5a and 5j can serve as the potential surrogate for design of novel and potent antibacterial agents. The results for the in vitro bioassays were promising with the identification of compounds 5a and 5j as the lead and selective candidate for RNA inhibition. Results of the docking computations further ascertained the inhibitory potential of compound 5a. Based on the in silico studies, it can be suggested that compounds 5a and 5j can serve as a structural model for the design of antibacterial agents with better inhibitory potential. Graphic abstract: Binding mode of compound 5j inside the active site of RNA in 3D space. 5j displayed highest antibacterial potential than the reference drug ampicillin with ZOI 10.50?mm against Staphylococcus aureus. 5j also displayed highest antifungal potential than the reference drug amphotericin B with ZOI 18.20?mm against Fusarium solani.[Figure not available: see fulltext.].