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Thianaphthene Structure

Thianaphthene

Chemical Properties

Melting point 30-33 °C
Boiling point 221-222 °C(lit.)
Density  1.149 g/mL at 25 °C(lit.)
vapor pressure  1.33 hPa ( 20 °C)
refractive index  1.6332 (estimate)
Flash point >230 °F
storage temp.  Store below +30°C.
solubility  0.13g/l
form  Crystalline Solid
pka 32.4
Specific Gravity 1.149
color  White to pink or yellow
Water Solubility  insoluble
Merck  14,9303
BRN  80580
Henry's Law Constant 4.1×10-2 mol/(m3Pa) at 25℃, Mackay et al. (1995)
InChI 1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey FCEHBMOGCRZNNI-UHFFFAOYSA-N
SMILES c1ccc2sccc2c1
LogP 3.120
CAS DataBase Reference 95-15-8(CAS DataBase Reference)
NIST Chemistry Reference Benzo[b]thiophene(95-15-8)
EPA Substance Registry System Benzo[b]thiophene (95-15-8)

Safety Information

Hazard Codes  Xn,Xi,N
Risk Statements  22-36/37/38-20/21/22-51/53
Safety Statements  22-24/25-36-26-61
RIDADR  UN3077
WGK Germany  3
Autoignition Temperature 510°C
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3

MSDS

Usage And Synthesis

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