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1,4-BENZENEDIMETHANETHIOL Structure

1,4-BENZENEDIMETHANETHIOL

Chemical Properties

Melting point 45-46 °C (lit.)
Boiling point 156 °C/12 mmHg (lit.)
Density  1.1604 (rough estimate)
refractive index  1.6210 (estimate)
Flash point >230 °F
storage temp.  Inert atmosphere,Room Temperature
pka 9.41±0.10(Predicted)
form  powder to lump
color  White to Almost white
InChI InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N
SMILES C1(CS)=CC=C(CS)C=C1
CAS DataBase Reference 105-09-9(CAS DataBase Reference)
FDA UNII K48UBZ9IMD
EPA Substance Registry System 1,4-Benzenedimethanethiol (105-09-9)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
RIDADR  UN 3335
WGK Germany  3
HS Code  2930909899
NFPA 704:
1
2 0

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