Cas no 6320-02-1 (2-Bromo-benzenethiol)
2-Bromo-benzenethiol Chemical and Physical Properties
Names and Identifiers
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- 2-bromobenzenethiol
- 2-Bromo-benzenethiol
- 2-BROMOTHIOPHENOL
- o-Bromobenzenethiol
- 2-bromobenzene-1-thiol
- 2-BROMOPHENYL MERCAPTAN
- 2-BROMOTHIOPHENO
- BENZENETHIOL, 2-BROMO-
- 2-Bromo thiophenol
- o-Bromothiophenol
- Benzenethiol, o-bromo-
- YUQUNWNSQDULTI-UHFFFAOYSA-N
- 2-bromo-thiophenol
- NSC32016
- 2-bromo-
- 2-bromobenzene thiol
- PubChem4009
- KSC357M3N
- YUQUNWNSQDULTI-UHFFFAOYSA-
- BCP09623
- CHEMBL119957
- PS-4216
- UNII-CD6P4XJ7FQ
- 6320-02-1
- NSC-32016
- EINECS 228-665-4
- 2-Bromothiophenol, 97%
- NS00035359
- 2-BROMOPHENYLTHIOL
- NSC 32016
- AT20833
- InChI=1/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H
- B2347
- C6H5BrS
- MFCD00004827
- DTXSID3064229
- CD6P4XJ7FQ
- EN300-15039
- CS-0022377
- SCHEMBL48430
- AKOS009038916
- W-104928
- DTXCID1043756
- DB-054423
-
- MDL: MFCD00004827
- Inchi: 1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChI Key: YUQUNWNSQDULTI-UHFFFAOYSA-N
- SMILES: BrC1C=CC=CC=1S
- BRN: 2039769
Computed Properties
- Exact Mass: 187.93000
- Monoisotopic Mass: 187.93
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 74.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.8
- Topological Polar Surface Area: 1
Experimental Properties
- Color/Form: Yellow liquid with foul smell
- Density: 1.573?g/mL?at 25?°C(lit.)
- Boiling Point: 128-130?°C/25?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: n20/D 1.635(lit.)
- PSA: 38.80000
- LogP: 2.73780
- Solubility: Not determined
- Sensitiveness: Stench
2-Bromo-benzenethiol Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:UN2922
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26
- FLUKA BRAND F CODES:10-13-23
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:8
- Safety Term:8
- Packing Group:III
- Risk Phrases:R36/37/38
- HazardClass:8
- PackingGroup:III
- TSCA:T
- Storage Condition:0-10°C
2-Bromo-benzenethiol Customs Data
- HS CODE:29309070
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Bromo-benzenethiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B2347-5g |
2-Bromo-benzenethiol |
6320-02-1 | 98.0%(GC) | 5g |
¥250.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B2347-25g |
2-Bromo-benzenethiol |
6320-02-1 | 98.0%(GC) | 25g |
¥790.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B649A-5g |
2-Bromo-benzenethiol |
6320-02-1 | 98% | 5g |
¥130.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B649A-25g |
2-Bromo-benzenethiol |
6320-02-1 | 98% | 25g |
¥506.0 | 2022-05-30 | |
| Fluorochem | 001577-1g |
2-Bromothiophenol |
6320-02-1 | 97% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 001577-5g |
2-Bromothiophenol |
6320-02-1 | 97% | 5g |
£17.00 | 2022-03-01 | |
| Fluorochem | 001577-25g |
2-Bromothiophenol |
6320-02-1 | 97% | 25g |
£65.00 | 2022-03-01 | |
| Fluorochem | 001577-100g |
2-Bromothiophenol |
6320-02-1 | 97% | 100g |
£158.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B101772-100g |
2-Bromo-benzenethiol |
6320-02-1 | 98% | 100g |
¥1311.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B101772-1g |
2-Bromo-benzenethiol |
6320-02-1 | 98% | 1g |
¥39.90 | 2023-09-04 |
2-Bromo-benzenethiol Suppliers
2-Bromo-benzenethiol Related Literature
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D. J. C. Prasad,Govindasamy Sekar Org. Biomol. Chem. 2009 7 5091
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Juan Song,Hao Wu,Wei Sun,Songjiang Wang,Haisen Sun,Kang Xiao,Yan Qian,Chao Liu Org. Biomol. Chem. 2018 16 2083
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Xi Mao,Tao Tong,Senbao Fan,Liting Fang,Jingyi Wu,Xiaoxia Wang,Honglan Kang,Xin Lv Chem. Commun. 2017 53 4718
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Julia Ponce González,Mark Edgar,Mark R. J. Elsegood,George W. Weaver Org. Biomol. Chem. 2011 9 2294
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Faizal Khan,Rajneesh Misra J. Mater. Chem. C 2023 11 2786
Additional information on 2-Bromo-benzenethiol
Recent Advances in the Application of 2-Bromo-benzenethiol (CAS: 6320-02-1) in Chemical Biology and Pharmaceutical Research
2-Bromo-benzenethiol (CAS: 6320-02-1) is a sulfur-containing aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by the presence of a bromine atom and a thiol group on a benzene ring, serves as a crucial building block in the synthesis of various bioactive molecules. Recent studies have highlighted its potential in drug discovery, material science, and as a ligand in catalytic systems. This research brief aims to summarize the latest findings related to 2-Bromo-benzenethiol, focusing on its synthesis, reactivity, and biological applications.
One of the most notable advancements in the use of 2-Bromo-benzenethiol is its role in the development of novel thiol-based inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 2-Bromo-benzenethiol exhibit potent inhibitory activity against cysteine proteases, which are implicated in various diseases, including cancer and parasitic infections. The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's efficacy, leading to the identification of several promising candidates for further preclinical evaluation. The study also highlighted the compound's ability to form stable covalent bonds with the active-site cysteine residues, a feature that enhances its therapeutic potential.
In addition to its pharmacological applications, 2-Bromo-benzenethiol has been explored as a key intermediate in the synthesis of functionalized materials. A recent report in ACS Applied Materials & Interfaces detailed the use of this compound in the preparation of self-assembled monolayers (SAMs) on gold surfaces. The bromine moiety facilitates further functionalization, enabling the creation of highly ordered and tunable surfaces for biosensing applications. This research opens new avenues for the development of advanced diagnostic tools and electronic devices.
Another significant area of research involves the use of 2-Bromo-benzenethiol in transition-metal catalysis. A 2024 study in Chemical Communications revealed that this compound acts as an effective ligand in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura and Heck reactions. The thiol group's ability to coordinate with palladium centers enhances the catalytic efficiency and selectivity of these transformations, which are widely employed in the synthesis of complex organic molecules. The study also provided mechanistic insights into the role of 2-Bromo-benzenethiol in stabilizing reactive intermediates during the catalytic cycle.
Despite these promising developments, challenges remain in the large-scale production and application of 2-Bromo-benzenethiol. Issues such as its sensitivity to oxidation and the need for optimized synthetic protocols have been addressed in recent works. For instance, a 2023 publication in Organic Process Research & Development proposed a scalable and cost-effective method for the synthesis of 2-Bromo-benzenethiol, utilizing green chemistry principles to minimize environmental impact. This advancement is expected to facilitate broader adoption of the compound in industrial settings.
In conclusion, 2-Bromo-benzenethiol (CAS: 6320-02-1) continues to be a valuable tool in chemical biology and pharmaceutical research, with recent studies uncovering its potential in drug discovery, material science, and catalysis. Ongoing efforts to address synthetic and stability challenges will further enhance its utility and pave the way for innovative applications. Researchers are encouraged to explore the multifaceted roles of this compound and its derivatives in addressing unmet medical and technological needs.
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