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Thianaphthene

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Thianaphthene Basic information
Product Name:Thianaphthene
Synonyms:THIANAPHTHENE;THIONAPHTHENE;2,3-BENZOTHIOPHENE;BZT;BBT;BENZO2,3THIOPHENE;BENZO[B]THIOPHENE;BENZOTHIOPHENE
CAS:95-15-8
MF:C8H6S
MW:134.2
EINECS:202-395-7
Product Categories:Heterocycle-oher series;Benzothiophenes;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Thiophenes & Benzothiophenes;Benzothiophene;Halogenated;Organoborons;Thiophenes & Benzothiophenes;bc0001
Mol File:95-15-8.mol
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)
Fp >230 °F
storage temp. Store below +30°C.
solubility 0.13g/l
form Crystalline Solid
pka32.4
color White to pink or yellow
Specific Gravity1.149
Water Solubility insoluble
Merck 14,9303
BRN 80580
InChI1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKeyFCEHBMOGCRZNNI-UHFFFAOYSA-N
SMILESc1ccc2sccc2c1
LogP3.120
CAS DataBase Reference95-15-8(CAS DataBase Reference)
NIST Chemistry ReferenceBenzo[b]thiophene(95-15-8)
EPA Substance Registry SystemBenzo[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 Temperature510°C
Hazard Note Irritant
TSCA TSCA listed
HazardClass 9
PackingGroup III
HS Code 29349990
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Aquatic Chronic 3
MSDS Information
ProviderLanguage
Thianaphthene English
SigmaAldrich English
ACROS English
ALFA English
Thianaphthene Usage And Synthesis
Chemical PropertiesWHITE TO RED CRYSTALLINE LOW MELTING SOLID
UsesBenzo[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.
Usesmanufacture of pharmaceuticals, thioindigo.
UsesBenzo[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.
UsesThianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium.
ApplicationThianaphthene may be used in the preparation of 2-thianapthenylphenyllithium, via metalation by n-butyllithium.
Reaction of ethyl diazoacetate with thianaphthene has been reported.
DefinitionChEBI: 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 DescriptionReaction of ethyl diazoacetate with thianaphthene has been reported.
Purification Methods1-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.]
Tag:Thianaphthene(95-15-8) Related Product Information
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