2,5-Bis(trifluoromethyl)benzaldehyde
2,5-Bis(trifluoromethyl)benzaldehyde structure
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Common Name | 2,5-Bis(trifluoromethyl)benzaldehyde | ||
|---|---|---|---|---|
| CAS Number | 395-64-2 | Molecular Weight | 242.118 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 200.9±40.0 °C at 760 mmHg | |
| Molecular Formula | C9H4F6O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 74.7±21.5 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2,5-Bis(trifluoromethyl)benzaldehyde, Chinese name 2,5-双(三氟甲基)苯甲醛, CAS number 395-64-2, molecular formula C9H4F6O, molecular weight 242.118. Appearance: colorless liquid, boiling point: 200.9±40.0 °C, density: 1.4±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 | 2,5-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 | 200.9±40.0 °C at 760 mmHg |
| Molecular Formula | C9H4F6O |
| Molecular Weight | 242.118 |
| Flash Point | 74.7±21.5 °C |
| Exact Mass | 242.016632 |
| PSA | 17.07000 |
| LogP | 3.91 |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.425 |
| InChIKey | PICGJIQKPLBIES-UHFFFAOYSA-N |
| SMILES | O=Cc1cc(C(F)(F)F)ccc1C(F)(F)F |
| Storage condition | Room temperature. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 2,5-Bis(trifluoromethyl)benzaldehyde Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation
H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:2,5-Bis(trifluoromethyl)benzaldehyde CAS number:395-64-2 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate Eye contact: flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C9H4F6O Molecular weight: 242.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
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 | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39-S37-S36 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2913000090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2,5-Bis(trifluo... CAS#:395-64-2 |
| Literature: METABOLEX, INC. Patent: WO2005/80340 A1, 2005 ; Location in patent: Page/Page column 49-50 ; |
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~%
2,5-Bis(trifluo... CAS#:395-64-2 |
| Literature: Cytovia, Inc. Patent: US2003/13743 A1, 2003 ; US 20030013743 A1 |
This 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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Effect of trifluoromethoxy, chlorodifluoromethoxy, and trifluoromethyl on the antimalarial activity of 5-benzyl- and 5-phenyl-2,4-diaminopyrimidines.
J. Med. Chem. 16 , 1399, (1973)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00674087 |
| FXFFR BVH DXFFF |
| 2,5-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 polar surface area (PSA) of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: Polar surface area (PSA) of 2,5-Bis(Trifluoromethyl)Benzaldehyde is 17.07000. |
| Q: What English synonyms does 2,5-Bis(Trifluoromethyl)Benzaldehyde have? |
| A: English synonyms of 2,5-Bis(Trifluoromethyl)Benzaldehyde: MFCD00674087, FXFFR BVH DXFFF, 2,5-Bis(trifluoromethyl)benzaldehyde. |
| Q: What is the SMILES notation of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: SMILES notation of 2,5-Bis(Trifluoromethyl)Benzaldehyde is O=Cc1cc(C(F)(F)F)ccc1C(F)(F)F. |
| Q: What is the LogP of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: LogP of 2,5-Bis(Trifluoromethyl)Benzaldehyde is 3.91. |
| Q: What are the storage conditions for 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: Storage conditions for 2,5-Bis(Trifluoromethyl)Benzaldehyde: Room temperature. |
| Q: What is the molecular formula of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: Molecular formula of 2,5-Bis(Trifluoromethyl)Benzaldehyde is C9H4F6O. |
| Q: What is the CAS number of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: CAS number of 2,5-Bis(Trifluoromethyl)Benzaldehyde is 395-64-2. |
| Q: What is the English name of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: The English name of 2,5-Bis(Trifluoromethyl)Benzaldehyde is 2,5-Bis(Trifluoromethyl)Benzaldehyde. |
| Q: What is the molecular weight of 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: Molecular weight of 2,5-Bis(Trifluoromethyl)Benzaldehyde is 242.118. |
| Q: What is the safety information for 2,5-Bis(Trifluoromethyl)Benzaldehyde? |
| A: Safety information for 2,5-Bis(Trifluoromethyl)Benzaldehyde: S26-S36/37/39-S37-S36. |
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. |