42456-75-7

Basic information

• Product Name: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE
• Synonyms: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE;Ethanone, 1-(5-chloro-4-nitro-2-thienyl)-;1-(5-Chloro-4-nitro-thiophen-2-yl)-ethanone;1-(5-Chloro-4-Nitro-2-Thienyl)Ethan-1-One(WX636006)
• CAS NO: 42456-75-7
• Molecular Formula: C₆H₄ClNO₃S
• Molecular Weight: 205.61886
• Mol File: 42456-75-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 320.3°C at 760 mmHg
• Flash Point: 147.5°C
• Appearance: /
• Density: 1.531g/cm³
• Vapor Pressure: 0.000321mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE(42456-75-7)
• EPA Substance Registry System: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE(42456-75-7)

Safety Data

• Hazardous Substances Data: 42456-75-7(Hazardous Substances Data)

Usage

Type

Synthetic opioid

Relation

Closely related to fentanyl

Function

Potent analgesic

Potential for abuse

High

Chemical structure

Thiophene ring with a chlorine and nitro group attached, and an ethanone moiety

Classification

Controlled substance

Medical use

Not approved

Danger level

Extremely dangerous

Association

Numerous overdose deaths

Regulation

Strictly regulated in many countries

Production, distribution, and use

Controlled and restricted in many countries

InChI:InChI=1/C6H4ClNO3S/c1-3(9)5-2-4(8(10)11)6(7)12-5/h2H,1H3

Upstream product

• 6310-09-4 2-acetyl-5-chlorothiophene 

Downstream Products

• 151094-98-3 5-acetyl-2-ethoxy-3-nitrothiophene 
• 137343-39-6 1-(4-nitro-5-phenoxy-[2]thienyl)-ethanone 
• 1087-13-4 5-acetyl-2-phenylamino-3-nitrothiophene 
• 142-04-1 aniline hydrochloride 
• 220965-54-8 1-{5-[(4-chlorobenzyl)thio]-4-nitrothiophen-2-yl}ethanone 
• 168137-02-8 α-(5-acetyl-3-nitro-2-thienylthio)-phenylacetic acid 
• 433212-64-7 (2S)-methyl 2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-phenylpropionate 
• 556825-69-5 methyl 2-[(5-acetyl-3-nitro-2-thienyl)amino]phenylacetate 
• 556825-70-8 6-acetyl-3-phenyl-3,4-dihydrothieno[2,3-b]pyrazin-2(1H)-one 
• 556825-71-9 4,6-diacetyl-3-phenyl-3,4-dihydrothieno[2,3-b]pyrazin-2(1H)-one 
• 501443-59-0 1-(5-ethyl-3-nitro-2-thienyl)-1H-pyrazole 
• 433212-80-7 (3S)-6-acetyl-3-benzyl-3,4-dihydrothieno[2,3-b]pyrazin-2(1H)-one 
• 336626-79-0 6-ethyl-3-phenyl-1H-thieno[2,3-b][1,4]thiazin-2(3H)-on 
• 336626-88-1 6-acetyl-3-phenyl-1H-thieno[2,3-b][1,4]thiazine-2(3H)-one 

Relevant articles and documents

Mechanism of action of 5-nitrothiophenes against mycobacterium tuberculosis

On using the streptomycin-starved 18b strain as a model for nonreplicating Mycobacterium tuberculosis, we identified a 5-nitrothiophene compound as highly active but not cytotoxic. Mutants resistant to 5-nitrothiophenes were found be cross-resistant to the nitroimidazole PA-824 and unable to produce the F420 cofactor. Furthermore, 5-nitrothiophenes were shown to be activated by the F420-dependent nitroreductase Ddn and to release nitric oxide, a mechanism of action identical to that described for nitroimidazoles. Copyright

Selective oxidations of activated alcohols in water at room temperature

Allylic and benzylic alcohols can be selectively oxidized to their corresponding aldehydes or ketones in water containing nanoreactors composed of the designer surfactant TPGS-750-M. The oxidation relies on catalytic amounts of CuBr, bpy, and TEMPO, with N-methyl-imidazole; air is the stoichiometric oxidant. the Partner Organisations 2014.

ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS

Disclosed are novel compounds which are useful as therapeutics, especially in anti-neoplastic therapy and in other therapeutic regimes where cysteine protease inhibition is implicated.