| Identification | More | [Name]
Thianaphthene | [CAS]
95-15-8 | [Synonyms]
1-BENZOTHIOPHEN
1-BENZOTHIOPHENE
2,3-BENZOTHIOPHENE
BBT
BENZO2,3THIOPHENE
BENZO[B]THIOPHENE
BENZOTHIOPHENE
BZT
THIANAPHTHENE
THIONAPHTHENE
1-Thiaindene
Benzo(beta)thiophene
Benzothiofuran
Benzothiophen
Thianaphtene
Thianaphthen
Thianapthene
Thionaphthen
Thionaphthalene
Thianaphthene, 98+% | [EINECS(EC#)]
202-395-7 | [Molecular Formula]
C8H6S | [MDL Number]
MFCD00005864 | [Molecular Weight]
134.2 | [MOL File]
95-15-8.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO RED CRYSTALLINE LOW MELTING SOLID | [Melting point ]
30-33 °C
| [Boiling point ]
221-222 °C(lit.)
| [density ]
1.149 g/mL at 25 °C(lit.)
| [refractive index ]
1.6332 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.13g/l | [form ]
Crystalline Solid | [pka]
32.4 | [color ]
White to pink or yellow | [Specific Gravity]
1.149 | [Water Solubility ]
insoluble | [Merck ]
14,9303 | [BRN ]
80580 | [InChIKey]
FCEHBMOGCRZNNI-UHFFFAOYSA-N | [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]
95-15-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
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 ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN3077 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO RED CRYSTALLINE LOW MELTING SOLID | [Uses]
Thianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium. | [Uses]
Benzo[b]thiophene has application in organic as well as pharmaceutical industry as a component in the synthesis of Raloxifene, a breast cancer therapeutic, or hydrodesulfurization reactions. | [Uses]
Benzo[b]thiophene is used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium. It is used in organic as well as pharmaceutical industry as a component in the synthesis of raloxifene, a breast cancer therapeutic, or hydrodesulfurization reactions. | [Uses]
manufacture of pharmaceuticals, thioindigo. | [Application]
Thianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium.
Reaction of ethyl diazoacetate with thianaphthene has been reported. | [Definition]
ChEBI: 1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 69, p. 2008, 1947 DOI: 10.1021/ja01200a053
Tetrahedron, 27, p. 1253, 1971 DOI: 10.1016/S0040-4020(01)90874-9 | [General Description]
Reaction of ethyl diazoacetate with thianaphthene has been reported. | [Purification Methods]
1-Benzothiophene has the odour of naphthalene. If the IR spectrum is not very good, then suspend it in a faintly alkaline aqueous solution and steam distil it. Extract the distillate with Et2O, dry the extract (CaCl2), filter, evaporate the solvent and fractionate the residue. The distillate sets solid. The sulfoxide has m 142o, the picrate has m 148-149o (yellow crystals from EtOH) and the styphnate has m 136-137o. [Hansch & Lindwall J Org Chem 10, 381 1945, Meyer & Meyer Chem Ber 52B 1249 1919, Weisgerber & Kruber 53 1551 1920, Iddon & Scrowston Adv Heterocycl Chem 11 177 1970, Beilstein 17/2 V 6.] |
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