Thianaphthene-2-carboxylic acid Structure

Thianaphthene-2-carboxylic acid

Chemical Properties

Melting point 241-244 °C (lit.)
Boiling point 280.44°C (rough estimate)
Density  1.3242 (rough estimate)
refractive index  1.5480 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  powder to crystal
pka 3.48±0.30(Predicted)
color  White to Light yellow
Water Solubility  Soluble in ethanol, acetone and chloroform. Insoluble in water.
Merck  14,9345
BRN  124613
InChI InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey DYSJMQABFPKAQM-UHFFFAOYSA-N
SMILES C12=CC=CC=C1C=C(C(O)=O)S2
CAS DataBase Reference 6314-28-9(CAS DataBase Reference)
FDA UNII HLR49221FQ
NIST Chemistry Reference Thianaphthene-2-carboxylic acid(6314-28-9)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26-36
WGK Germany  3
Hazard Note  Irritant
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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