2-(Trifluoromethoxy)phenyl isothiocyanate
2-(Trifluoromethoxy)phenyl isothiocyanate structure
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Common Name | 2-(Trifluoromethoxy)phenyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 175205-33-1 | Molecular Weight | 219.18400 | |
| Density | 1.354 g/mL at 25 °C(lit.) | Boiling Point | 215 °C(lit.) | |
| Molecular Formula | C8H4F3NOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 102 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(Trifluoromethoxy)phenyl isothiocyanate |
|---|---|
| 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 | 1.354 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 215 °C(lit.) |
| Molecular Formula | C8H4F3NOS |
| Molecular Weight | 219.18400 |
| Flash Point | 102 °C |
| Exact Mass | 218.99700 |
| PSA | 53.68000 |
| LogP | 3.31950 |
| Vapour Pressure | 0.0754mmHg at 25°C |
| Index of Refraction | n20/D 1.543(lit.) |
| InChIKey | ZFEJYPIWOGCCFS-UHFFFAOYSA-N |
| SMILES | FC(F)(F)Oc1ccccc1N=C=S |
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.
| Hazard Codes | C: Corrosive;Xi: Irritant; |
|---|---|
| Risk Phrases | R34 |
| Safety Phrases | S26-S27-S36/37/39-S45 |
| RIDADR | UN 1760 8/PG 2 |
| 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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2-(Trifluoromet... CAS#:175205-33-1 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 14 p. 3925 - 3929 |
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2-(Trifluoromet... CAS#:175205-33-1 |
| Literature: US2012/302573 A1, ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-isothiocyanato-2-(trifluoromethoxy)benzene |
| MFCD00220860 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Molecular formula of 2-(Trifluoromethoxy)phenyl isothiocyanate is C8H4F3NOS. |
| Q: What is the InChIKey of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: InChIKey of 2-(Trifluoromethoxy)phenyl isothiocyanate is ZFEJYPIWOGCCFS-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: CAS number of 2-(Trifluoromethoxy)phenyl isothiocyanate is 175205-33-1. |
| Q: What is the safety information for 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Safety information for 2-(Trifluoromethoxy)phenyl isothiocyanate: S26-S27-S36/37/39-S45. |
| Q: What is the polar surface area (PSA) of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Polar surface area (PSA) of 2-(Trifluoromethoxy)phenyl isothiocyanate is 53.68000. |
| Q: What are the upstream materials of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Related upstream materials(CAS) of 2-(Trifluoromethoxy)phenyl isothiocyanate: 463-71-8;1535-75-7;88-17-5. |
| Q: What is the molecular weight of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Molecular weight of 2-(Trifluoromethoxy)phenyl isothiocyanate is 219.18400. |
| Q: What is the SMILES notation of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: SMILES notation of 2-(Trifluoromethoxy)phenyl isothiocyanate is FC(F)(F)Oc1ccccc1N=C=S. |
| Q: What English synonyms does 2-(Trifluoromethoxy)phenyl isothiocyanate have? |
| A: English synonyms of 2-(Trifluoromethoxy)phenyl isothiocyanate: 1-isothiocyanato-2-(trifluoromethoxy)benzene, MFCD00220860. |
| Q: What is the boiling point of 2-(Trifluoromethoxy)phenyl isothiocyanate? |
| A: Boiling point of 2-(Trifluoromethoxy)phenyl isothiocyanate is 215 °C(lit.). |
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. |