4-[(Trifluoromethyl)sulfanyl]phenol
![4-[(Trifluoromethyl)sulfanyl]phenol Structure](https://image.chemsrc.com/caspic/488/461-84-7.png)
4-[(Trifluoromethyl)sulfanyl]phenol structure
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Common Name | 4-[(Trifluoromethyl)sulfanyl]phenol | ||
|---|---|---|---|---|
| CAS Number | 461-84-7 | Molecular Weight | 194.174 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 170.4±40.0 °C at 760 mmHg | |
| Molecular Formula | C7H5F3OS | Melting Point | 57-60 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 56.9±27.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 4-(Trifluoromethylthio)phenol, also known as 4-[(Trifluoromethyl)sulfanyl]phenol, has a CAS number of 461-84-7. Its molecular formula is C7H5F3OS with a molecular weight of 194.174. It appears as colorless or pale yellow crystals with a melting point of 57-60°C. 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-(Trifluoromethylthio)phenol |
|---|---|
| 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 | 170.4±40.0 °C at 760 mmHg |
| Melting Point | 57-60 °C(lit.) |
| Molecular Formula | C7H5F3OS |
| Molecular Weight | 194.174 |
| Flash Point | 56.9±27.3 °C |
| Exact Mass | 194.001312 |
| PSA | 45.53000 |
| LogP | 2.67 |
| Vapour Pressure | 1.1±0.3 mmHg at 25°C |
| Index of Refraction | 1.529 |
| InChIKey | YYCPTWHVKSATQK-UHFFFAOYSA-N |
| SMILES | Oc1ccc(SC(F)(F)F)cc1 |
| Storage condition | Room temperature. |
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-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~85%
4-[(Trifluorome... CAS#:461-84-7 |
| Literature: Tang, Ri-Yuan; Zhong, Ping; Lin, Qiu-Lian Journal of Fluorine Chemistry, 2007 , vol. 128, # 6 p. 636 - 640 |
|
~%
4-[(Trifluorome... CAS#:461-84-7 |
| Literature: Farbenfabriken Bayer A. G. Patent: BE624397 , 1963 ; C.A., 1963 , vol. 59, p. 9893 |
|
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4-[(Trifluorome... CAS#:461-84-7 |
| Literature: Boiko,V.N. et al. Journal of Organic Chemistry USSR (English Translation), 1977 , vol. 13, p. 972 - 975 Zhurnal Organicheskoi Khimii, 1977 , vol. 13, p. 1057 - 1061 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 8 | |
CAS#:70783-74-3
CAS#:653578-26-8
CAS#:653578-27-9
CAS#:653578-28-0
CAS#:653578-29-1
CAS#:653578-31-5
CAS#:933673-33-7
CAS#:432-84-8This 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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Acid-promoted direct electrophilic trifluoromethylthiolation of phenols.
Org. Biomol. Chem. 13(10) , 3103-15, (2015) The electrophilic aromatic ring trifluoromethylthiolation of various substituted phenols was accomplished using PhNHSCF3 (N-trifluoromethylsulfanyl)aniline, (1) in the presence of BF3·Et2O (2) or trif... |
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Synthesis of Toltrazuril.
Chin. J. Pharm. 37(3) , 145, (2006)
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Study on the synthesis of toltrazuril. Jiang Z-L, et al.
Chemical Reagents 28(9) , 518, (2006)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(TrifluoroMethylthio)phenol |
| 4-((Trifluoromethyl)thio)phenol |
| MFCD00036035 |
| 4-[(Trifluoromethyl)thio]phenol |
| 4-(trifluoromethylsulfanyl)phenol |
| 4-[(Trifluoromethyl)sulfanyl]phenol |
| QR DSXFFF |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-(Trifluoromethylthio)phenol? |
| A: SMILES notation of 4-(Trifluoromethylthio)phenol is Oc1ccc(SC(F)(F)F)cc1. |
| Q: What English synonyms does 4-(Trifluoromethylthio)phenol have? |
| A: English synonyms of 4-(Trifluoromethylthio)phenol: 4-(TrifluoroMethylthio)phenol, 4-((Trifluoromethyl)thio)phenol, MFCD00036035, 4-[(Trifluoromethyl)thio]phenol, 4-(trifluoromethylsulfanyl)phenol, 4-[(Trifluoromethyl)sulfanyl]phenol, QR DSXFFF. |
| Q: What is the LogP of 4-(Trifluoromethylthio)phenol? |
| A: LogP of 4-(Trifluoromethylthio)phenol is 2.67. |
| Q: What is the safety information for 4-(Trifluoromethylthio)phenol? |
| A: Safety information for 4-(Trifluoromethylthio)phenol: S26-S36. |
| Q: What is the CAS number of 4-(Trifluoromethylthio)phenol? |
| A: CAS number of 4-(Trifluoromethylthio)phenol is 461-84-7. |
| Q: What is the molecular weight of 4-(Trifluoromethylthio)phenol? |
| A: Molecular weight of 4-(Trifluoromethylthio)phenol is 194.174. |
| Q: What is the melting point of 4-(Trifluoromethylthio)phenol? |
| A: Melting point of 4-(Trifluoromethylthio)phenol is 57-60 °C(lit.). |
| Q: What is the molecular formula of 4-(Trifluoromethylthio)phenol? |
| A: Molecular formula of 4-(Trifluoromethylthio)phenol is C7H5F3OS. |
| Q: What is the boiling point of 4-(Trifluoromethylthio)phenol? |
| A: Boiling point of 4-(Trifluoromethylthio)phenol is 170.4±40.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 4-(Trifluoromethylthio)phenol? |
| A: InChIKey of 4-(Trifluoromethylthio)phenol is YYCPTWHVKSATQK-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Top Intermediates Co., Ltd. |
| 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
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- Shanghai Top Intermediates Co., Ltd. TOP
- China
- Product Name: 4-[(Trifluoromethyl)sulfanyl]phenol
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 4-[(Trifluoromethyl)sulfanyl]phenol
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 4-(Trifluoromethylthio)phenol
- 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-(Trifluoromethylthio)phenol
- 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-[(Trifluoromethyl)sulfanyl]phenol
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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