6-Bromo-2-chlorobenzothiazole
6-Bromo-2-chlorobenzothiazole structure
|
Common Name | 6-Bromo-2-chlorobenzothiazole | ||
|---|---|---|---|---|
| CAS Number | 80945-86-4 | Molecular Weight | 248.527 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 309.2±15.0 °C at 760 mmHg | |
| Molecular Formula | C7H3BrClNS | Melting Point | 99-103ºC | |
| MSDS | Chinese USA | Flash Point | 140.8±20.4 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Bromo-2-chlorobenzothiazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 309.2±15.0 °C at 760 mmHg |
| Melting Point | 99-103ºC |
| Molecular Formula | C7H3BrClNS |
| Molecular Weight | 248.527 |
| Flash Point | 140.8±20.4 °C |
| Exact Mass | 246.885803 |
| PSA | 41.13000 |
| LogP | 4.19 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.721 |
| InChIKey | IJQSMNIZBBEBKI-UHFFFAOYSA-N |
| SMILES | Clc1nc2ccc(Br)cc2s1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H335 |
| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN 2811 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~94%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: CRITICAL THERAPEUTICS, INC. Patent: WO2007/146066 A2, 2007 ; Location in patent: Page/Page column 88-89 ; |
|
~93%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Byeon, Seong Rim; Jin, Yun Jung; Lim, Soo Jeong; Lee, Ji Hoon; Yoo, Kyung Ho; Shin, Kye Jung; Oh, Seung Jun; Kim, Dong Jin Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 14 p. 4022 - 4025 |
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~97%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Zhu, Lei; Zhang, Mingbao; Dai, Miao Journal of Heterocyclic Chemistry, 2005 , vol. 42, # 4 p. 727 - 730 |
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~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Journal of the Chemical Society, , p. 2190,2209 Journal of the Indian Chemical Society, , vol. 10, p. 563,568 |
|
~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 14 p. 4022 - 4025 |
|
~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 42, # 4 p. 727 - 730 |
|
~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Journal of the Chemical Society, , p. 464 |
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~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, , vol. 4, # 1 p. 67 Gazzetta Chimica Italiana, , vol. 78, p. 462,468 |
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~%
6-Bromo-2-chlor... CAS#:80945-86-4 |
| Literature: Journal of the Indian Chemical Society, , vol. 10, p. 563,568 |
![6-Bromobenzo[d]thiazole-2(3H)-thione structure](https://image.chemsrc.com/caspic/161/51618-30-5.png)
![Benzo[d]thiazol-2-amine structure](https://image.chemsrc.com/caspic/040/136-95-8.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
![6-Bromo-2-methylbenzo[d]thiazole structure](https://image.chemsrc.com/caspic/451/5304-21-2.png)
CAS#:5304-21-2
CAS#:75104-92-6![ETHYL 2-(6-BROMOBENZO[D]THIAZOL-2-YL)ACETATE structure](https://image.chemsrc.com/caspic/450/791614-78-3.png)
CAS#:791614-78-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Ferulic acid and benzothiazole dimer derivatives with high binding affinity to beta-amyloid fibrils.
Bioorg. Med. Chem. Lett. 17 , 4022, (2007) New ferulic acid and benzothiazole dimer derivatives were synthesized and evaluated by in vitro competition assay using [(125)I]TZDM for their specific binding affinities to Abeta fibrils. In particul... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Bromo-2-chlorobenzothiazole |
| 6-Bromo-2-chloro-benzothiazole |
| 6-Bromo-2-chloro-1,3-benzothiazole |
| MFCD04971822 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 6-Bromo-2-chlorobenzothiazole? |
| A: Related downstream products(CAS) of 6-Bromo-2-chlorobenzothiazole: 5304-21-2;62266-82-4;75104-92-6;791614-78-3. |
| Q: What is the safety information for 6-Bromo-2-chlorobenzothiazole? |
| A: Safety information for 6-Bromo-2-chlorobenzothiazole: S26-S36. |
| Q: What is the boiling point of 6-Bromo-2-chlorobenzothiazole? |
| A: Boiling point of 6-Bromo-2-chlorobenzothiazole is 309.2±15.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 6-Bromo-2-chlorobenzothiazole? |
| A: Molecular formula of 6-Bromo-2-chlorobenzothiazole is C7H3BrClNS. |
| Q: What is the InChIKey of 6-Bromo-2-chlorobenzothiazole? |
| A: InChIKey of 6-Bromo-2-chlorobenzothiazole is IJQSMNIZBBEBKI-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 6-Bromo-2-chlorobenzothiazole? |
| A: Polar surface area (PSA) of 6-Bromo-2-chlorobenzothiazole is 41.13000. |
| Q: What is the melting point of 6-Bromo-2-chlorobenzothiazole? |
| A: Melting point of 6-Bromo-2-chlorobenzothiazole is 99-103ºC. |
| Q: What is the molecular weight of 6-Bromo-2-chlorobenzothiazole? |
| A: Molecular weight of 6-Bromo-2-chlorobenzothiazole is 248.527. |
| Q: What is the CAS number of 6-Bromo-2-chlorobenzothiazole? |
| A: CAS number of 6-Bromo-2-chlorobenzothiazole is 80945-86-4. |
| Q: What are the upstream materials of 6-Bromo-2-chlorobenzothiazole? |
| A: Related upstream materials(CAS) of 6-Bromo-2-chlorobenzothiazole: 62266-82-4;37390-63-9;51618-30-5;15864-32-1;106-40-1;367-24-8;1985-12-2;615-20-3;136-95-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |