4-Bromothioanisole
4-Bromothioanisole structure
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Common Name | 4-Bromothioanisole | ||
|---|---|---|---|---|
| CAS Number | 104-95-0 | Molecular Weight | 203.100 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 242.1±23.0 °C at 760 mmHg | |
| Molecular Formula | C7H7BrS | Melting Point | 38-40 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 100.2±22.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 4-Bromothioanisole (CAS号：104-95-0), with molecular formula C7H7BrS and molecular weight 203.100, is a slightly brown solid. The melting point is 38-40 °C, and the boiling point is 242.1±23.0 °C. It should be stored at 0-10°C and kept in an inert gas to avoid exposure to air. 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-Bromothioanisole |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 242.1±23.0 °C at 760 mmHg |
| Melting Point | 38-40 °C(lit.) |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.100 |
| Flash Point | 100.2±22.6 °C |
| Exact Mass | 201.945175 |
| PSA | 25.30000 |
| LogP | 3.72 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.624 |
| InChIKey | YEUYZNNBXLMFCW-UHFFFAOYSA-N |
| SMILES | CSc1ccc(Br)cc1 |
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 | H302 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | UN3335 9 |
| WGK Germany | 3 |
| HS Code | 2930909090 |
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 8 | |
CAS#:98546-51-1
CAS#:100-68-5
CAS#:934-71-4
CAS#:589-87-7
CAS#:67-68-5
CAS#:624-92-0
CAS#:106-40-1
CAS#:106-53-6
CAS#:616-38-6
CAS#:74-88-4
CAS#:105135-96-4
CAS#:3466-32-8
CAS#:5335-84-2
CAS#:333-47-1![[4-(Methylsulfanyl)phenyl]acetonitrile structure](https://image.chemsrc.com/caspic/473/38746-92-8.png)
CAS#:38746-92-8
CAS#:3446-89-7This 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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Selective growth of a less stable polymorph of 2-iodo-4-nitroaniline on a self-assembled monolayer template.
Chem. Commun. (Camb.) (23) , 2676-7, (2004) Orthorhombic and triclinic crystals of 2-iodo-4-nitroaniline (INA) grow concomitantly from supersaturated ethanol solutions, but the less stable orthorhombic phase can be selectively grown on 3'-X-4-m... |
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Isolation of S-(bromophenyl)cysteine isomers from liver proteins of bromobenzene-treated rats.
Chem. Res. Toxicol. 4(1) , 17-20, (1991)
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Novel 1, 2-diarylcyclobutenes: Selective and orally active COX-2 inhibitors. Friesen RW, et al.
Bioorg. Med. Chem. Lett. 6(22) , 2677-82, (1996)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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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: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Bromo-4-(methylsulfanyl)benzene |
| 4-Bromophenyl methyl sulfide |
| EINECS 203-255-8 |
| Methyl 4-bromophenylsulfide |
| 4-Bromothioanisole |
| 1-bromo-4-methylsulfanylbenzene |
| 1-Bromo-4-(methylthio)benzene |
| p-Bromo(methylthio)benzene |
| Sulfide, p-bromophenyl methyl |
| Sulfide, p-bromophenyl methyl (8CI) |
| MFCD00000102 |
| p-Bromophenyl methyl sulfide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 4-Bromothioanisole? |
| A: Safety information for 4-Bromothioanisole: S37/39-S26. |
| Q: What is the InChIKey of 4-Bromothioanisole? |
| A: InChIKey of 4-Bromothioanisole is YEUYZNNBXLMFCW-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 4-Bromothioanisole? |
| A: Molecular formula of 4-Bromothioanisole is C7H7BrS. |
| Q: What is the boiling point of 4-Bromothioanisole? |
| A: Boiling point of 4-Bromothioanisole is 242.1±23.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 4-Bromothioanisole? |
| A: Polar surface area (PSA) of 4-Bromothioanisole is 25.30000. |
| Q: What is the SMILES notation of 4-Bromothioanisole? |
| A: SMILES notation of 4-Bromothioanisole is CSc1ccc(Br)cc1. |
| Q: What is the melting point of 4-Bromothioanisole? |
| A: Melting point of 4-Bromothioanisole is 38-40 °C(lit.). |
| Q: What is the molecular weight of 4-Bromothioanisole? |
| A: Molecular weight of 4-Bromothioanisole is 203.100. |
| Q: What is the English name of 4-Bromothioanisole? |
| A: The English name of 4-Bromothioanisole is 4-Bromothioanisole. |
| Q: What are the upstream materials of 4-Bromothioanisole? |
| A: Related upstream materials(CAS) of 4-Bromothioanisole: 98546-51-1;100-68-5;934-71-4;589-87-7;67-68-5;624-92-0;106-40-1;106-53-6;616-38-6;74-88-4. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 4-Bromothioanisole
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 4-Bromothioanisole
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 4-Bromothioanisole
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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