3,5-Bis(trifluoromethyl)benzaldehyde
3,5-Bis(trifluoromethyl)benzaldehyde structure
|
Common Name | 3,5-Bis(trifluoromethyl)benzaldehyde | ||
|---|---|---|---|---|
| CAS Number | 401-95-6 | Molecular Weight | 242.118 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 188.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H4F6O | Melting Point | -2ºC | |
| MSDS | Chinese USA | Flash Point | 57.5±20.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,5-Bis(trifluoromethyl)benzaldehyde |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 188.5±0.0 °C at 760 mmHg |
| Melting Point | -2ºC |
| Molecular Formula | C9H4F6O |
| Molecular Weight | 242.118 |
| Flash Point | 57.5±20.1 °C |
| Exact Mass | 242.016632 |
| PSA | 17.07000 |
| LogP | 3.58 |
| Vapour Pressure | 0.6±0.3 mmHg at 25°C |
| Index of Refraction | 1.425 |
| InChIKey | LDWLIXZSDPXYDR-UHFFFAOYSA-N |
| SMILES | O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
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 | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2913000090 |
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#:785-56-8
CAS#:32707-89-4
CAS#:27126-93-8
CAS#:328-70-1
CAS#:68-12-2
CAS#:1002717-47-6
CAS#:725-89-3
CAS#:175135-01-0
CAS#:402-31-3
CAS#:107337-73-5
CAS#:1054543-47-3![2-[3,5-bis(trifluoromethyl)phenyl]oxirane structure](https://image.chemsrc.com/caspic/053/109086-18-2.png)
CAS#:109086-18-2![(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine structure](https://image.chemsrc.com/caspic/012/511256-36-3.png)
CAS#:511256-36-3![1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol structure](https://image.chemsrc.com/caspic/308/184888-50-4.png)
CAS#:184888-50-4
CAS#:184969-49-1
CAS#:85068-34-4![(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol structure](https://image.chemsrc.com/caspic/003/225920-05-8.png)
CAS#:225920-05-8
CAS#:85068-29-7
CAS#:1027096-75-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2913000090 |
|---|---|
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis of a novel 4H-pyran analog as minor groove binder to DNA using ethidium bromide as fluorescence probe.
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 152 , 165-71, (2015) In the present work, isopropyl-6-amino-4-(3,5-bis(trifluoromethyl)phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (4H-pyran analog) has been synthesized by a three component reaction catalyzed by CsOH... |
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meso-3,5-Bis(trifluoromethyl)phenyl-substituted expanded porphyrins: synthesis, characterization, and optical, electrochemical, and photophysical properties.
Chem. Asian J. 3(12) , 2065-74, (2008) Trifluoroacetic acid-catalyzed condensation of pyrrole with electron-deficient and sterically hindered 3,5-bis(trifluoromethyl)benzaldehyde results in the unexpected production of a series of meso-3,5... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00010206 |
| MBT-BAD |
| 3,5-ditrifluoromethylbenzaldehyde |
| α,α,α,α',α',α'-Hexafluoro-3,5-xylylaldehyde |
| FXFFR CVH EXFFF |
| 3,5-Di(trifluoromethyl)benzaldehyde |
| 3,5-Bis(trifluoromethyl)benzaldehyde |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: The English name of 3,5-Bis(trifluoromethyl)benzaldehyde is 3,5-Bis(trifluoromethyl)benzaldehyde. |
| Q: What are the upstream materials of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: Related upstream materials(CAS) of 3,5-Bis(trifluoromethyl)benzaldehyde: 785-56-8;32707-89-4;27126-93-8;328-70-1;68-12-2;1002717-47-6;725-89-3;175135-01-0;402-31-3;107337-73-5. |
| Q: What is the CAS number of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: CAS number of 3,5-Bis(trifluoromethyl)benzaldehyde is 401-95-6. |
| Q: What is the polar surface area (PSA) of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: Polar surface area (PSA) of 3,5-Bis(trifluoromethyl)benzaldehyde is 17.07000. |
| Q: What is the InChIKey of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: InChIKey of 3,5-Bis(trifluoromethyl)benzaldehyde is LDWLIXZSDPXYDR-UHFFFAOYSA-N. |
| Q: What English synonyms does 3,5-Bis(trifluoromethyl)benzaldehyde have? |
| A: English synonyms of 3,5-Bis(trifluoromethyl)benzaldehyde: MFCD00010206, MBT-BAD, 3,5-ditrifluoromethylbenzaldehyde, α,α,α,α',α',α'-Hexafluoro-3,5-xylylaldehyde, FXFFR CVH EXFFF, 3,5-Di(trifluoromethyl)benzaldehyde, 3,5-Bis(trifluoromethyl)benzaldehyde. |
| Q: What is the boiling point of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: Boiling point of 3,5-Bis(trifluoromethyl)benzaldehyde is 188.5±0.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: SMILES notation of 3,5-Bis(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1. |
| Q: What are the downstream products of 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: Related downstream products(CAS) of 3,5-Bis(trifluoromethyl)benzaldehyde: 1054543-47-3;109086-18-2;32707-89-4;511256-36-3;184888-50-4;184969-49-1;85068-34-4;225920-05-8;85068-29-7;1027096-75-8. |
| Q: What is the safety information for 3,5-Bis(trifluoromethyl)benzaldehyde? |
| A: Safety information for 3,5-Bis(trifluoromethyl)benzaldehyde: S26-S36-S37/39. |
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. |