5950-19-6

Basic information

• Product Name: 3-CHLORO-3-METHYLBUTANONE
• Synonyms: 3-CHLORO-3-METHYLBUTANONE;TIMTEC-BB SBB008903;2-Butanone, 3-chloro-3-methyl- (7CI,8CI,9CI);3-Chloro-3-methyl-2-butanone;Nsc167067;3-CHLORO-3-METHYLBUTANONE, 97%,
• CAS NO: 5950-19-6
• Molecular Formula: C₅H₉ClO
• Molecular Weight: 120.58
• Product Categories: ACETYLGROUP
• Mol File: 5950-19-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 149.04°C (rough estimate)
• Flash Point: 317.6°C
• Appearance: /
• Density: 1.0083
• Vapor Pressure: 2.55E-15mmHg at 25°C
• Refractive Index: 1.42004 (20℃)
• CAS DataBase Reference: 3-CHLORO-3-METHYLBUTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-3-METHYLBUTANONE(5950-19-6)
• EPA Substance Registry System: 3-CHLORO-3-METHYLBUTANONE(5950-19-6)

Safety Data

• Hazardous Substances Data: 5950-19-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H14ClN3O5/c1-11-2-5-14(17(8-11)23(26)27)18-7-4-13(28-18)10-21-22-12-3-6-16(20)15(9-12)19(24)25/h2-10,22H,1H3,(H,24,25)/b21-10+

Upstream product

• 563-80-4 3-methyl-butan-2-one 
• 7782-50-5 chlorine 
• 115-22-0 3-Hydroxy-3-methyl-2-butanone 
• 26189-59-3 1-chloro-1-(dimethylamino)-2-methyl-1-propene 

Downstream Products

• 75-98-9 Trimethylacetic acid 
• 117627-92-6 3-methyl-3-phenoxy-butan-2-one oxime 
• 115-22-0 3-Hydroxy-3-methyl-2-butanone 
• 41860-71-3 3-(4-clorofenossi)-3-metilbutanone 
• 2893-05-2 3-methyl-1-phenylbutan-2-one 
• 103818-60-6 N-(3-chloro-3-methyl-2-butylidene)aniline 
• 191083-89-3 [2-Chloro-1,2-dimethyl-prop-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine 
• 1308253-48-6 2-(benzylsulfanyl)-6,7,7-trimethyl-3,7-dihydro-4H-pyrimido[4,5-b][1,4]oxazin-4-one 
• 79310-12-6 3',6'-dihydro-3'-phenyl-5',6',6'-trimethylspiro(fluorene-9,2'-<1,3,4>thiadiazine) 1'-oxide 
• 79310-11-5 3',6'-dihydro-3'-phenyl-5',6',6'-trimethylspiro(fluorene-9,2'-<1,3,4>thiadiazine) 
• 195259-31-5 2,2,3-Trimethyl-1-thia-4-aza-spiro[4.4]nonane 
• 814-78-8 3-Methyl-3-buten-2-one 
• 20099-28-9 4-hydroxy-4-methyl-1-phenyl-1-penten-3-one 
• 20215-55-8 dihydro-3,3-dimethyl-5-phenylfuran-2(3H)-one 

Relevant articles and documents

A mild method for the replacement of a hydroxyl group by halogen. 1. Scope and chemoselectivity

α-Chloro-, bromo- and iodoenamines, which are readily prepared from the corresponding isobutyramides have been found to be excellent reagents for the transformation of a wide variety of alcohols or carboxylic acids into the corresponding halides. Yields are high and conditions are very mild thus allowing for the presence of sensitive functional groups. The reagents can be easily tuned allowing therefore the selective monohalogenation of polyhydroxylated molecules. The scope and chemoselectivity of the reactions have been studied and reaction mechanisms have been proposed.