| Identification | More | [Name]
Thianaphthene-2-carboxylic acid | [CAS]
6314-28-9 | [Synonyms]
1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
AKOS 92498
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
BENZOTHIOPHENE-2-CARBOXYLIC ACID
BUTTPARK 86\18-03
RARECHEM AL BE 0483
THIANAPHTHENE-2-CARBOXYLIC ACID
TIMTEC-BB SBB003763
Benzothiophene-2-caboxylic acid
2-Benzobthiophenecarboxylicacid
Benzothiophene-2-carboxylic acid, HPLC 97%
2-Thionaphthenecarboxylic acid
Benzobüthiophene-2-carboxylic acid, 98%
Benzothiofuran-2-carboxylic acid
BL 5583
Thionaphthene-2-carboxylic acid
Benzo[b]thiophene-2-carboxylic acid ,98% | [EINECS(EC#)]
613-148-1 | [Molecular Formula]
C9H6O2S | [MDL Number]
MFCD00051636 | [Molecular Weight]
178.21 | [MOL File]
6314-28-9.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to yellowish-beige crystalline powder | [Melting point ]
241-244 °C (lit.) | [Boiling point ]
280.44°C (rough estimate) | [density ]
1.3242 (rough estimate) | [refractive index ]
1.5480 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.48±0.30(Predicted) | [color ]
White to Light yellow | [Water Solubility ]
Soluble in ethanol, acetone and chloroform. Insoluble in water. | [Detection Methods]
HPLC | [Merck ]
14,9345 | [BRN ]
124613 | [InChI]
InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) | [InChIKey]
DYSJMQABFPKAQM-UHFFFAOYSA-N | [SMILES]
C12=CC=CC=C1C=C(C(O)=O)S2 | [CAS DataBase Reference]
6314-28-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Thianaphthene-2-carboxylic acid(6314-28-9) |
| Questions And Answer | Back Directory | [Synthesis]
2-Methylthiobenzaldehyde (2a) (30.0 g, 0.20 mol), magnesium oxide (3.0 g), and toluene (50.0 g) were added to a 250 mL three-necked flask equipped with a mechanical stirrer, thermometer, and water separator. The mixture was then heated to reflux, and chloroacetone (3a) (23.0 g, 0.24 mol) was added dropwise under vigorous stirring. Water produced during the reaction was separated. The reaction was completed within 4 hours. After the reaction was complete, insoluble substances were removed by filtration while keeping the mixture hot, and toluene was then removed under vacuum at 60°C. Thus, Thianaphthene-2-carboxylic acid was given. The yield was 83%. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to yellowish-beige crystalline powder | [Uses]
Thianaphthene-2-carboxylic acid may be used for the fabrication of carboxylated conducting polymer/CNTs (carbon nanotubes) composites thin films. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 21, p. 39, 1956 DOI: 10.1021/jo01107a007 | [General Description]
Thianaphthene-2-carboxylic acid, a benzothiophene, is a heterocyclic sulfur compound. It undergoes degradation (23%) by employing a mixture of washed cells of Rhodococcus erythropolis DS-3 and Gordonia sp. C-6. |
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