4-Bromothiophenol
4-Bromothiophenol structure
|
Common Name | 4-Bromothiophenol | ||
|---|---|---|---|---|
| CAS Number | 106-53-6 | Molecular Weight | 189.073 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 231.3±13.0 °C at 760 mmHg | |
| Molecular Formula | C6H5BrS | Melting Point | 73-76 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 93.7±19.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 4-bromothiophenol (Chinese name: 4-溴苯硫酚, CAS number: 106-53-6, molecular formula: C6H5BrS, molecular weight: 189.073), appears as white to pale yellow crystalline powder, with a melting point of 73-76 °C, boiling point of 231.3±13.0 °C, and a density of 1.6±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-bromothiophenol |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 231.3±13.0 °C at 760 mmHg |
| Melting Point | 73-76 °C(lit.) |
| Molecular Formula | C6H5BrS |
| Molecular Weight | 189.073 |
| Flash Point | 93.7±19.8 °C |
| Exact Mass | 187.929520 |
| PSA | 38.80000 |
| LogP | 3.53 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.631 |
| InChIKey | FTBCOQFMQSTCQQ-UHFFFAOYSA-N |
| SMILES | Sc1ccc(Br)cc1 |
| Storage condition | Refrigerator |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26 |
| RIDADR | 2923 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 29309070 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:98-58-8
CAS#:589-87-7
CAS#:13457-82-4
CAS#:5467-74-3
CAS#:5335-84-2
CAS#:82884-30-8
CAS#:701-34-8
CAS#:7305-13-7
CAS#:108-98-5
CAS#:138-36-3
CAS#:107737-89-3
CAS#:112110-44-8
CAS#:100375-03-9
CAS#:1072952-17-0![1-bromo-4-[(4-chlorophenyl)disulfanyl]benzene structure](https://image.chemsrc.com/caspic/058/110121-12-5.png)
CAS#:110121-12-5
CAS#:4923-87-9
CAS#:3466-32-8
CAS#:333-47-1
CAS#:85914-73-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Electrophilic properties of patulin. Adduct structures and reaction pathways with 4-bromothiophenol and other model nucleophiles.
Chem. Res. Toxicol. 13(5) , 363-72, (2000) The mycotoxin patulin (PAT) is believed to exert its cytotoxic and chromosome-damaging effects by forming covalent adducts with essential cellular thiols. Since the chemical structures of such adducts... |
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Direct identification of on-bead peptides using surface-enhanced Raman spectroscopic barcoding system for high-throughput bioanalysis.
Sci. Rep. 5 , 10144, (2015) Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinc... |
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Formation and reactivity of chromium(V)-thiolato complexes: a model for the intracellular reactions of carcinogenic chromium(VI) with biological thiols.
J. Am. Chem. Soc. 132(25) , 8720-31, (2010) The nature of the long-lived EPR-active Cr(V) species observed in cells and biological fluids exposed to carcinogenic Cr(VI) has been definitively assigned from detailed kinetic and spectroscopic anal... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Bromothiophenol |
| 4-Bromobenzenethiol |
| MFCD00004845 |
| p-Bromothiophenol |
| EINECS 203-407-3 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 4-bromothiophenol? |
| A: Boiling point of 4-bromothiophenol is 231.3±13.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 4-bromothiophenol? |
| A: Molecular weight of 4-bromothiophenol is 189.073. |
| Q: What is the LogP of 4-bromothiophenol? |
| A: LogP of 4-bromothiophenol is 3.53. |
| Q: What is the CAS number of 4-bromothiophenol? |
| A: CAS number of 4-bromothiophenol is 106-53-6. |
| Q: What is the polar surface area (PSA) of 4-bromothiophenol? |
| A: Polar surface area (PSA) of 4-bromothiophenol is 38.80000. |
| Q: What is the English name of 4-bromothiophenol? |
| A: The English name of 4-bromothiophenol is 4-bromothiophenol. |
| Q: What is the melting point of 4-bromothiophenol? |
| A: Melting point of 4-bromothiophenol is 73-76 °C(lit.). |
| Q: What are the upstream materials of 4-bromothiophenol? |
| A: Related upstream materials(CAS) of 4-bromothiophenol: 98-58-8;589-87-7;13457-82-4;5467-74-3;5335-84-2;82884-30-8;701-34-8;7305-13-7;108-98-5;138-36-3. |
| Q: What is the SMILES notation of 4-bromothiophenol? |
| A: SMILES notation of 4-bromothiophenol is Sc1ccc(Br)cc1. |
| Q: What is the molecular formula of 4-bromothiophenol? |
| A: Molecular formula of 4-bromothiophenol is C6H5BrS. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 4-Bromothiophenol
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 4-Bromothiophenol suppliers in China
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 4-BROMOTHIOPHENOL
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 4-Bromothiophenol
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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