36635-41-3

Basic information

• Product Name: Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-
• CAS NO: 36635-41-3
• Molecular Formula: C10H10N2O4S
• Molecular Weight: 254.266
• Mol File: 36635-41-3.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-(36635-41-3)
• EPA Substance Registry System: Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-(36635-41-3)

Safety Data

• Hazardous Substances Data: 36635-41-3(Hazardous Substances Data)

Upstream product

• 528-76-7 2,4-dinitrobenzenesulfenyl chloride 
• 97-00-7 1-chloro-2,4-dinitro-benzene 
• 36635-36-6 3-butenyltributylstannane 

Relevant articles and documents

Phenol-catalyzed thione-thiol rearrangement of xanthates and modified intermediate neglect of differential overlap (MINDO/3) analysis of the reaction mechanism

S-Alkyl dithiocarbonates (xanthates) of alkanols containing strained σ bonds underwent rearrangement to S,S-dialkyl dithiocarbonates, catalyzed by phenolic compounds. The reaction followed first-order kinetics and the rates were affected by the acidity of the phenols. The rate constants are proportional to the square of the concentration of phenol. The modified intermediate neglect of differential overlap (MINDO/3) geometry optimization indicates that S,S-dialkyl dithiocarbonate is ca. 9 kcal/mol more stable than O,S-dialkyl xanthate. The thione-thiol rearrangement and sulfide formation reactions were analyzed by MO simulations. The experimental results can be well reproduced by the MINDO/3 method rather than the modified neglect of diatomic overlap (MNDO) method. Based on these data, the reaction mechanism is discussed.

Alkyltin cyclopropylcarbinylsulfonate

Pesticidal and anti-inflammatory cyclopropyl compounds, cyclopropyl intermediates for the preparation of pesticidal compounds, especially chrysanthemic acid-like intermediates, and a process for preparing same.