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4066-41-5

4066-41-5 Structure

4066-41-5 Structure
IdentificationMore
[Name]

5-Acetylthiophene-2-carboxylic acid
[CAS]

4066-41-5
[Synonyms]

5-ACETYL-2-THIOPHENECARBOXYLIC ACID
5-ACETYLTHIOPHENE-2-CARBOXYLIC ACID
AKOS MSC-0226
BUTTPARK 121\06-15
LABOTEST-BB LT00454683
RARECHEM AL BO 0535
5-Acetylthiophene-2-CarboxylicAcid98%
5-Acetylthiophene-2-Carboxylic Acid 98%
5-Acetyltiophene-2-carboxylic acid
5-Acetylthiophene-2-Carboxylic
2-THIOPHENECARBOXYLIC ACID, 5-ACETYL
[EINECS(EC#)]

609-857-0
[Molecular Formula]

C7H6O3S
[MDL Number]

MFCD00055512
[Molecular Weight]

170.19
[MOL File]

4066-41-5.mol
Chemical PropertiesBack Directory
[Melting point ]

210-212°C
[Boiling point ]

385.2±27.0 °C(Predicted)
[density ]

1.383
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

2.95±0.10(Predicted)
[color ]

White to Yellow
[BRN ]

128897
[InChI]

InChI=1S/C7H6O3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10)
[InChIKey]

LIKIMWYKJUFVJP-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)SC(C(C)=O)=CC=1
[CAS DataBase Reference]

4066-41-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[Hazard Note ]

Irritant
[HS Code ]

2934999090
Hazard InformationBack Directory
[Description]

5-Acetylthiophene-2-carboxylic acid is a light yellow crystal with good thermal and chemical stability. It can be dissolved in various organic solvents, such as ethanol, ether, and chloroform, making it easy to handle and process in chemical reactions. It can be used as a raw material to synthesize compounds such as 5-Ethylthiophene-2-carboxylic acid.
[Chemical Properties]

cream to pale brown solid
[Uses]

5-Acetylthiophene-2-carboxylic acid is a intermediate used in the preparation of various 2,5-disubstituted thiophenes.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 3, p. 104, 1966 DOI: 10.1002/jhet.5570030127
Spectrum DetailBack Directory
[Spectrum Detail]

5-Acetylthiophene-2-carboxylic acid(4066-41-5)MS
5-Acetylthiophene-2-carboxylic acid(4066-41-5)1HNMR
5-Acetylthiophene-2-carboxylic acid(4066-41-5)IR1
5-Acetylthiophene-2-carboxylic acid(4066-41-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Acetylthiophene-2-carboxylic acid, 98+%(4066-41-5)
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