698-16-8

Basic information

• Product Name: alpha-Chlorobenzaldoxime
• Synonyms: ALPHA-CHLOROBENZALDOXIME;-Chlorobenzaldehydeoxime;N-Hydroxybenzenecarboximidoylchloride;-Chlorobenzaldoxime;BenzohydroximoylChloride;o-Chlorobenzaldoxime;A-CHLOROBENZALDOXIME;Chlorophenylmethanone oxime
• CAS NO: 698-16-8
• Molecular Formula: C₇H₆ClNO
• Molecular Weight: 155.58
• Mol File: 698-16-8.mol
• Article Data: 168

Chemical Properties

• Melting Point: 48-52°C
• Boiling Point: 275.8oC at 760 mmHg
• Flash Point: 120.6oC
• Appearance: /
• Density: 1.21g/cm3
• Vapor Pressure: 0.00241mmHg at 25°C
• Refractive Index: 1.55
• Storage Temp.: 2-8°C
• PKA: 10.51±0.70(Predicted)
• CAS DataBase Reference: alpha-Chlorobenzaldoxime(CAS DataBase Reference)
• NIST Chemistry Reference: alpha-Chlorobenzaldoxime(698-16-8)
• EPA Substance Registry System: alpha-Chlorobenzaldoxime(698-16-8)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 698-16-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H/b9-7+

Upstream product

• 622-32-2 (Z)-benzaldehyde oxime 
• 100-52-7 benzaldehyde 
• 932-90-1 syn-benzaldehyde oxime 
• 60-29-7 diethyl ether 
• 622-43-5 aci-nitromethyl-benzene 
• 7647-01-0 hydrogenchloride 
• 932-90-1 Benzaldoxime 
• 93394-08-2 O-chlorosulfinylbenzohydroximoyl chloride 
• 90690-89-4 α-chloro-o-chloroacetylbenzaldoxime 
• 7419-56-9 N-hydroxy-N-(1,1-dimethylethyl)benzamide 
• 64-17-5 ethanol 
• 75-36-5 acetyl chloride 
• 98-88-4 benzoyl chloride 
• 100-51-6 benzyl alcohol 

Downstream Products

• 1143-82-4 ethyl 5-methyl-3-phenylisoxazole-4-carboxylate 
• 54535-49-8 4-cyano-3,5-diphenylisoxazole 
• 36954-50-4 N-(4-methylphenyl)-benzamide oxime 
• 13831-40-8 N''-hydroxy-N-methyl-N-phenyl-benzamidrazone 
• 29278-09-9 5-amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester 
• 37715-82-5 2-(3-phenyl-[1,4,2]dioxazol-5-yl)-pyridine 
• 37715-81-4 5-furan-2-yl-3-phenyl-[1,4,2]dioxazole 
• 32527-66-5 4,6-dimethoxy-3-phenyl-3a,4,6,6a-tetrahydro-furo[3,4-d]isoxazole 
• 93947-43-4 3-phenyl-7a-piperidin-1-yl-3a,4,5,6,7,7a-hexahydro-benzo[d]isoxazole 
• 93947-42-3 7-methyl-3-phenyl-7a-pyrrolidin-1-yl-3a,4,5,6,7,7a-hexahydro-benzo[d]isoxazole 
• 94803-44-8 7a-(1-pyrrolidinyl)-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,2-benzoisoxazole 
• 32527-69-8 4ξ,6-dimethoxy-3-phenyl-(3ar,6ac)-3a,4,6,6a-tetrahydro-furo[3,4-d]isoxazole-6ξ-carboxylic acid methyl ester 
• 16565-02-9 3,5t-diphenyl-4,5-dihydro-isoxazole-4r-carboxylic acid methyl ester 
• 37715-84-7 3-phenyl-5-trichloromethyl-[1,4,2]dioxazole 

Relevant articles and documents

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The present study was carried out in an?attempt to synthesize a new class of potential antibacterial agents. In this context, novel isoxazoles were synthesized and evaluated for their potential antibacterial behavior against four pathogenic bacterial strains. The synthesized compounds exhibited moderate-to-good antibacterial activity against these strains. The highest antibacterial activity was observed against the Escherichia coli strains, particularly for compounds 4a and 4e with phenyl and para-nitrophenyl groups on the isoxazole–acridone skeleton;?they showed promising minimum inhibitory concentration values of 16.88 and 19.01 μg/ml, respectively, compared with the standard drug chloramphenicol (22.41 μg/ml). The synthesized compounds were subjected to in silico docking studies to understand the mode of their interactions with the DNA topoisomerase complex (PDB ID: 3FV5) of E. coli. The molecular docking results showed that compounds 4a–l occupy the active site of DNA topoisomerase (PDB ID: 3FV5), stabilized via hydrogen bonding and hydrophobic interactions, which may be the reason behind their interesting in vitro antibacterial activity.