BENZOTHIOPHENE
Thianaphthene
CAS: 95-15-8;11095-43-5
Molecular Formula: C8H6S
BENZOTHIOPHENE - Names and Identifiers
| Name | Thianaphthene |
| Synonyms | BZT BBT thionaphthen Thionaphthene THIONAPHTHENE THIANAPHTHENE Thianaphthene BENZOTHIOPHENE benzothiophene 1-Benzothiophene BENZO2,3THIOPHENE benzo(b)thiophene BENZO[B]THIOPHENE Benzo[b]thiophene 2,3-BENZOTHIOPHENE |
| CAS | 95-15-8 11095-43-5 |
| EINECS | 202-395-7 |
| InChI | InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H |
| InChIKey | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
BENZOTHIOPHENE - Physico-chemical Properties
| Molecular Formula | C8H6S |
| Molar Mass | 134.2 |
| Density | 1.149g/mLat 25°C(lit.) |
| Melting Point | 30-33°C |
| Boling Point | 221-222°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | insoluble |
| Solubility | 0.13g/l |
| Vapor Presure | 0.163mmHg at 25°C |
| Appearance | White crystal |
| Specific Gravity | 1.149 |
| Color | White to pink or yellow |
| Merck | 14,9303 |
| BRN | 80580 |
| pKa | 32.4 |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.6332 (estimate) |
| MDL | MFCD00005864 |
| Physical and Chemical Properties | Benzothiophene, molecular formula C8H6S. Molecular weight 134.19. White leaf-like crystals. There is the smell of naphthalene. Can volatilize with water vapor. Melting point 32 ℃, boiling point 221 ℃, 103~105 ℃(2660Pa). Relative density 1.148432, refractive index 1.637437, UVλmax227, 257, 288nm in ethanol. Soluble in ether, acetone, benzene and general organic solvents, soluble in alcohol, insoluble in water, soluble in concentrated sulfuric acid is cherry red, disappear after heating, electrophilic substitution reaction can occur. It can be obtained by reacting ethylbenzene with hydrogen sulfide or by decarboxylation and condensation of o-mercaptocinnamic acid. for organic synthesis. Its derivative thioindigo is a red dye. |
BENZOTHIOPHENE - Risk and Safety
| Risk Codes | 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. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | 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. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN3077 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29349990 |
| Hazard Note | Irritant |
| Hazard Class | 9 |
| Packing Group | III |
BENZOTHIOPHENE - Introduction
Miscible with water. Soluble in conventional organic solvents, soluble in ethanol, ether and acetone.
Last Update：2022-10-16 17:30:19
BENZOTHIOPHENE - Reference Information
| physical and chemical properties | benzothiophene, molecular formula C8H6S. Molecular weight 134.19. White leaf-like crystals. There is the smell of naphthalene. Can volatilize with water vapor. Melting point 32 ℃, boiling point 221 ℃, 103~105 ℃(2660Pa). Relative density 1.148432, refractive index 1.637437, UVλmax227, 257, 288nm in ethanol. Soluble in ether, acetone, benzene and general organic solvents, soluble in alcohol, insoluble in water, soluble in concentrated sulfuric acid is cherry red, disappear after heating, electrophilic substitution reaction can occur. It can be obtained by reacting ethylbenzene with hydrogen sulfide or by decarboxylation and condensation of o-mercaptocinnamic acid. for organic synthesis. Its derivative thioindigo is a red dye. |
| use | can be used as model compounds, organic sulfur sources, pharmaceutical compositions such as raloxifene and anti-osteoporosis agents, etc., as photochromic materials and optical recording media, as well as intermediates for preparing prostaglandin derivatives and reactants for anti-tumor preparations, it can also be used as a starting material for the preparation of heterocyclic sulfamesulfonyl and the synthesis of acyclic thioplatin compounds. |
| production method | industrially, it is mainly extracted from crude naphthalene. It can also be synthesized by styrene or ethylbenzene and hydrogen sulfide or condensed by thiophene and benzene ring. |
| NIST chemical information | The information is: webbook.nist.gov provides (external link) |
| EPA chemical information | The information is: offered by ofmpub.epa.gov (external link) |
Last Update：2024-04-09 01:59:58
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