ChemicalBook--->CAS DataBase List--->36157-40-1

36157-40-1

36157-40-1 Structure

36157-40-1 Structure
IdentificationMore
[Name]

3-Acetyl-2,5-dichlorothiophene
[CAS]

36157-40-1
[Synonyms]

1-(2,5-DICHLORO-3-THIENYL)-1-ETHANONE
1-(2,5-DICHLORO-3-THIENYL)ETHAN-1-ONE
2,5-DICHLORO-3-THIENYL METHYL KETONE
3-ACETYL-2,5-DICHLOROTHIOPHENE
AKOS 1010
1-(2,5-Dichloro-3-thienyl)ethanone
1-(2,5-Dichloro-thiophen-3-yl)-ethanone
Ethanone, 1-(2,5-dichloro-3-thienyl)-
1-(2,5-Dichlorothien-3-yl)ethan-1-one
2,5-Dichloro-3-acetylthiophene
Lightyellowcrystallinepowder
3-ACETYL-2,5-DICHLOROTHIOPHENE,98+%
[EINECS(EC#)]

252-893-3
[Molecular Formula]

C6H4Cl2OS
[MDL Number]

MFCD00014522
[Molecular Weight]

195.07
[MOL File]

36157-40-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

37-40 °C (lit.)
[Boiling point ]

120-122°C 4mm
[density ]

1.4514 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[form ]

solid
[color ]

White to Yellow to Orange
[BRN ]

121288
[InChI]

InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
[InChIKey]

GYFDNIRENHZKGR-UHFFFAOYSA-N
[SMILES]

C(=O)(C1C=C(Cl)SC=1Cl)C
[CAS DataBase Reference]

36157-40-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2,5-Dichloro-3-thienyl methyl ketone(36157-40-1)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29349990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Acetyl-2,5-dichlorothiophene(36157-40-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3-Acetyl-2,5-dichlorothiophene may be used in the following syntheses:
  • substituted chalcones
  • AL-4623A and AL-4862 (brinzolamide), inhibitors of topical carbonic anhydrase
  • 2,5-dichlorothiophene-3-carboxylic acid, which is the starting reagent required for the synthesis of 2,5-dichloro-N-(substituted amino-carbonothioyl)thiophene-3-carboxamides and 2-(substituted amino)-4H-thieno[3,2-e]-1,3-thiazin-4-ones
[Definition]

ChEBI: 1-(2,5-Dichloro-3-thienyl)ethan-1-one is an aromatic ketone.
[Synthesis]

1-Methyl-4-chlorobutenal was reacted with a strong base to remove the active hydrogen at the α-position, then docked with thioacetyl chloride and reacted at 60-80 degrees Celsius to obtain the target product 3-acetyl-2,5-dichlorothiophene.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Acetyl-2,5-dichlorothiophene(36157-40-1)MS
3-Acetyl-2,5-dichlorothiophene(36157-40-1)1HNMR
3-Acetyl-2,5-dichlorothiophene(36157-40-1)13CNMR
3-Acetyl-2,5-dichlorothiophene(36157-40-1)IR1
3-Acetyl-2,5-dichlorothiophene(36157-40-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Acetyl-2,5-dichlorothiophene, 98%(36157-40-1)
[Alfa Aesar]

3-Acetyl-2,5-dichlorothiophene, 98%(36157-40-1)
[Sigma Aldrich]

36157-40-1(sigmaaldrich)
[TCI AMERICA]

3-Acetyl-2,5-dichlorothiophene,>97.0%(GC)(36157-40-1)
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