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439509

3-Acetyl-2,5-dichlorothiophene

98%

Synonym(s):

2,5-Dichloro-3-thienyl methyl ketone

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About This Item

Empirical Formula (Hill Notation):
C6H4Cl2OS
CAS Number:
36157-40-1
Molecular Weight:
195.07
NACRES:
NA.22
PubChem Substance ID:
24867514
UNSPSC Code:
12352100
EC Number:
252-893-3
MDL number:
MFCD00014522
Assay:
98%
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assay

98%

mp

37-40 °C (lit.)

SMILES string

CC(=O)c1cc(Cl)sc1Cl

InChI

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

InChI key

GYFDNIRENHZKGR-UHFFFAOYSA-N

Application

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
21831MO
05320JI
05122MR
01624EN

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Enantioselective Synthesis of Brinzolamide (AL-4862), a New Topical Carbonic Anhydrase Inhibitor. The ?DCAT Route? to Thiophenesulfonamides.
Conrow RE, et al.
Organic Process Research & Development, 3(2), 114-120 (1999)
Facile synthesis of 2-(substituted amino)-4H-thieno [3, 2-e]-1, 3-thiazin-4-ones.
Abu-El-Halawa R, et al.
Monatshefte fur Chemie / Chemical Monthly, 139(10), 1251-1255 (2008)
Thienopyridone Antibacterials V. Synthesis of Some N (7)-Azacyclohexyl-4-oxothieno [2, 3-b] pyridine-5-carboxylic Acids and Related Congeners.
Al-Jaber HI, et al.
Zeitschrift fur Naturforschung, B: Chemical Sciences, 19(11), 1625-1625 (2009)
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Global Trade Item Number

SKUGTIN
439509-5G04061832249186