Benzothiazole
- CAS No.
- 95-16-9
- Chemical Name:
- Benzothiazole
- Synonyms
- Benzo[d]thiazole;Benzothiazol;1,3-BENZOTHIAZOLE;Vangard BT;o-2857;NSC 8040;vangardbt;FEMA 3256;usafek-4812;USAF ek-4812
- CBNumber:
- CB1720657
- Molecular Formula:
- C7H5NS
- Molecular Weight:
- 135.19
- MOL File:
- 95-16-9.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/24 13:33:21
| Melting point | 2 °C (lit.) |
|---|---|
| Boiling point | 231 °C (lit.) |
| Density | 1.238 g/mL at 25 °C (lit.) |
| vapor density | 4.66 (vs air) |
| vapor pressure | 34 mm Hg ( 131 °C) |
| refractive index |
n |
| FEMA | 3256 | BENZOTHIAZOLE |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | 3g/l |
| form | Liquid |
| pka | 0.85±0.10(Predicted) |
| color | Clear yellow-brown to brown |
| Odor | odor of quinoline, sltly water-sol |
| Odor Type | sulfurous |
| explosive limit | 0.9-8.2%(V) |
| Water Solubility | slightly soluble |
| Merck | 14,1107 |
| JECFA Number | 1040 |
| BRN | 109468 |
| Stability | Stable - regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitrogen oxides, carbon monoxide, carbon dioxide, sulphur oxides. |
| InChIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| LogP | 2.01 |
| CAS DataBase Reference | 95-16-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzothiazole(95-16-9) |
| EPA Substance Registry System | Benzothiazole (95-16-9) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301+H311-H319 | |||||||||
| Precautionary statements | P264-P270-P280-P301+P310-P302+P352+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,T,Xi | |||||||||
| Risk Statements | 22-20/21/22-36-25-24-20 | |||||||||
| Safety Statements | 23-26-36-36/37-45 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | DL0875000 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29342080 | |||||||||
| Toxicity | LD50 i.v. in mice: 95±3 mg/kg (Domino) | |||||||||
| NFPA 704 |
|
Benzothiazole price More Price(14)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W325600 | Benzothiazole ≥96%, FG | 95-16-9 | 1SAMPLE | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W325600 | Benzothiazole ≥96%, FG | 95-16-9 | 1KG | ₹19268.5 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W325600 | Benzothiazole ≥96%, FG | 95-16-9 | 10KG | ₹160004.33 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W325600 | Benzothiazole ≥96%, FG | 95-16-9 | 25KG | ₹332868.75 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 101338 | Benzothiazole 96% | 95-16-9 | 5G | ₹2100.05 | 2022-06-14 | Buy |
Benzothiazole Chemical Properties,Uses,Production
Description
Benzothiazole and its derivative are recognized as the most important heterocyclic compounds. This series of compounds is of particular interests. It has various kinds of pharmacological properties and has been included in many kinds of natural products and pharmaceutical agents. The broad spectrum of pharmacological activity in individual benzothiazole derivative enables it to serve as unique and valuable scaffolds for experimental drug design. It is already known that benzothiazole and its derivative has various biological applications including anticancer, antimicrobial, anticonvulsant, antiviral, antidiabetic, antipsychotic, antiinflammatory, analgesic, fungicidal and diuretic. Its derivatives also have many applications in polymer chemistry, dyes, drugs, and silver photography as well as rubber industry.
Chemical Properties
Benzothiazole has a delicate, persistent, rose-like odor similar to that of quinoline.
Occurrence
Reported found in apricot, cooked asparagus, mozzarella cheese, skim milk powder, roasted beef, beer, malt whiskey, coconut meat, fresh mango, cooked broccoli and kelp.
Uses
Various benzothiazole-benzamides synthesized were evaluated for their analgesic and antidepressant activities.
Preparation
By refluxing a mixture of zinc o-aminophenylsulfide and formic acid, followed by steam distillation of the alkalized reaction mixture; by heating formanilid or dimethylaniline with sulfur; by oxidation of 2-mercaptobenzothiazole or of the corresponding disulfide.
Definition
ChEBI: An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.
General Description
Benzothiazole, a volatile sulfur-containing heterocyclic compound, is one of the key odorants of heated milk. It is also reported to occur as a flavor component of miso, coconut meat and cooked-beef.
Hazard
Highly toxic by ingestion.
Safety Profile
Poison by ingestion,intraperitoneal, intravenous, and possibly other routes.When heated to decomposition it emits very toxic fumesof SOx, CN??, and NOx.
References
Gupta, Akhilesh, and S. Rawat. "Synthesis and cyclization of benzothiazole." J. of Current Pharmaceutical Research 3.1 (2010): 13-25.
Keri, Rangappa S., et al. "A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry." European journal of medicinal chemistry 89 (2015): 207-251.
Khokra, Sukhbir L., et al. "Common methods to synthesize benzothiazole derivatives and their medicinal significance: a review." International Journal of Pharmaceutical Sciences and Research 2.6 (2011): 1356.
Benzothiazole Preparation Products And Raw materials
Raw materials
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| SYNOVA CHEMICALS | +91-9920741772 +91-9920741772 | Mumbai, India | 428 | 58 | Inquiry |
| LANXESS India Pvt. Ltd. | +91-8356878763 +91-8356878763 | Maharashtra, India | 190 | 58 | Inquiry |
| Anami Organics | +91-9662506075 +91-9825113634 | Gujarat, India | 58 | 58 | Inquiry |
| Neugen Labs | +91-8133254502 +91-8133254502 | Karnataka, India | 195 | 58 | Inquiry |
| Santo Righello Pvt. Ltd | 91-9885571757 | Hyderabad, India | 919 | 58 | Inquiry |
| VASIN BIO LIFE SCIENCES PVT LTD | 9491644688 | Hyderabad, India | 2096 | 58 | Inquiry |
| LANXESS India Pvt. Ltd. | +91-22-2587 1000 | Maharashtra, India | 131 | 58 | Inquiry |
| Krystal Tech | 08048372876Ext 206 | Mumbai, India | 102 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| SYNOVA CHEMICALS | 58 |
| LANXESS India Pvt. Ltd. | 58 |
| Anami Organics | 58 |
| Neugen Labs | 58 |
| Santo Righello Pvt. Ltd | 58 |
| VASIN BIO LIFE SCIENCES PVT LTD | 58 |
| LANXESS India Pvt. Ltd. | 58 |
| Krystal Tech | 58 |
| CLEARSYNTH LABS LTD. | 58 |
| A.J Chemicals | 58 |
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