Thianaphthene

Molecule structure of Thianaphthene (CAS NO.95-15-8):
 
IUPAC Name: 1-Benzothiophene 
Molecular Weight: 134.19824 g/mol
Molecular Formula: C₈H₆S 
Density: 1.149 g/mL at 25 °C(lit.)
Melting Point: 30-33 °C
Boiling Point: 221 °C at 760 mmHg 
Flash Point: 62 °C
Index of Refraction: 1.675
Molar Refractivity: 42.47 cm³
Molar Volume: 113 cm³
Polarizability: 16.84×10^-24 cm₃
Surface Tension: 45.9 dyne/cm 
Enthalpy of Vaporization: 43.88 kJ/mol
Vapour Pressure: 0.163 mmHg at 25 °C 
Water Solubility: insoluble
XLogP3: 3.1
Exact Mass: 134.019021
MonoIsotopic Mass: 134.019021
Heavy Atom Count: 9
Complexity: 101
Canonical SMILES: C1=CC=C2C(=C1)C=CS2
InChI: InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N
EINECS: 202-395-7
Product Categories: Thiophenes & Benzothiophenes; Benzothiophene; Halogenated; Organoborons; Thiophenes & Benzothiophenes

 Thianaphthene (CAS NO.95-15-8) has no household use,used primarily in industry and research. Being a heterocyclic compound, it finds use in research as a starting material for the synthesis of larger, usually bioactive structures. It is also used in the manufacturing of dyes such as thioindigo.

Hazard Codes: Xn, Xi
Risk Statements: 22-36/37/38-20/21/22 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-36-26 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: UN3077
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 9
PackingGroup: III
HS Code: 29349990

 Thianaphthene (CAS NO.95-15-8) is also named as 1-Benzothiophene ; 1-Thiaindene ; 2,3-Benzothiophene ; AI3-15523 ; Benzothiofuran ; Benzothiophen ; NSC 47196 ; Thianaphtene ; Thianaphthen . Thianaphthene (CAS NO.95-15-8) is white to red crystalline low melting solid.