6964-21-2

Name 3-Thiopheneacetic acid
CAS 6964-21-2
EINECS(EC#) 230-166-1
Molecular Formula C6H6O2S
MDL Number MFCD00005473
Molecular Weight 142.18
MOL File 6964-21-2.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  73-76 °C(lit.)
Boiling point  129°C 2,5mm
density  1.365 (estimate)
refractive index  1.5300 (estimate)
Fp  129°C/2.5mm
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  Crystalline Flakes or Powder
pka 4.25±0.10(Predicted)
color  Off-white to beige
Water Solubility  Very soluble in water.
Detection Methods T,NMR
BRN  113622
InChI InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKey RCNOGGGBSSVMAS-UHFFFAOYSA-N
SMILES C1SC=CC=1CC(O)=O
CAS DataBase Reference 6964-21-2(CAS DataBase Reference)
NIST Chemistry Reference 3-Thiopheneacetic acid(6964-21-2)

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Hazard Codes  Xi,C
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
RIDADR  1759
WGK Germany  3
RTECS  XM7570000
Hazard Note  Irritant
HazardClass  8
PackingGroup  III
HS Code  29349990

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Material Safety Data Sheet(MSDS)

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