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4066-41-5

Name 5-Acetylthiophene-2-carboxylic acid
CAS 4066-41-5
EINECS(EC#) 609-857-0
Molecular Formula C7H6O3S
MDL Number MFCD00055512
Molecular Weight 170.19
MOL File 4066-41-5.mol
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Chemical Properties

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 Data

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

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