- Thiobenzoic acid
-
- $1.00 / 1KG
-
2019-07-06
- CAS:98-91-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: Customized
|
| | Thiobenzoic acid Basic information |
| | Thiobenzoic acid Chemical Properties |
| Melting point | 15-18 °C (lit.) | | Boiling point | 122 °C/30 mmHg (lit.) | | density | 1.174 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.605(lit.) | | Fp | >230 °F | | storage temp. | 2-8°C | | solubility | soluble in Chloroform, Ethyl Acetate | | form | Liquid | | pka | 3.61±0.10(Predicted) | | color | Clear yellow to brown | | Specific Gravity | 1.174 | | Water Solubility | insoluble | | Sensitive | Air Sensitive | | BRN | 1071790 | | InChI | 1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | InChIKey | UIJGNTRUPZPVNG-UHFFFAOYSA-N | | SMILES | SC(=O)c1ccccc1 | | LogP | 1.645 (est) | | CAS DataBase Reference | 98-91-9(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenecarbothioic acid(98-91-9) | | EPA Substance Registry System | Benzenecarbothioic acid (98-91-9) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-28-36-24/25 | | RIDADR | UN 2810 6.1/PG 3 | | WGK Germany | 3 | | RTECS | DH6839000 | | F | 9-13-23 | | TSCA | TSCA listed | | HS Code | 29309070 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Thiobenzoic acid Usage And Synthesis |
| Chemical Properties | clear yellow to brown liquid | | Uses | Organic intermediate. | | Synthesis Reference(s) | Journal of the American Chemical Society, 95, p. 3440, 1973 DOI: 10.1021/ja00791a092
Organic Syntheses, Coll. Vol. 4, p. 924, 1963 | | Synthesis | To a solution of N,N-dimethylthioformamide (1.0 mmol) in THF (1.0 mL) was added a 1.0 M phenyl lithium cyclohexane-Et2O solution (1.0 mL, 1.0 mmol) at -78??C. After the addition was complete, the mixture was stirred for 0.5 h at room temperature. A 0.93 M THF solution of phenylmagnesium bromide (1.0 mmol) was added to the mixture at room temperature. This mixture was stirred at reflux for 2 hours. Benzoyl chloride (1.0 mmol) was added to the mixture. The reaction mixture was stirred again for 2 hours at room temperature. The resulting mixture was poured into saturated aqueous NH4Cl solution. The organic and aqueous layers were separated. The aqueous layer was acidified with aqueous HCl solution (1N, 10 mL). Extracted the aqueous layer with Et2O to obtain organic layer II. dried organic layer II on MgSO4. vacuum concentrated organic layer II to obtain thiobenzoic acid.
|
| | Thiobenzoic acid Preparation Products And Raw materials |
|