(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
C20H18FNO
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Identification
- CAS Number
- 93957-50-7
- EC Number
- 425-370-4
- UN Number
- 3077
- Index Number
- 605-032-00-4
- PubChem CID
- 9926593
Physical-chemical properties
- Molecular Formula
- C20H18FNO
- Molar Mass
- 307.40 g/mol
- IUPAC Name
- (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
Chemical Identifiers
- InChI
- InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
- InChI Key
- DVWHSTKQJBIYCK-VMPITWQZSA-N
Overview
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal (CAS 93957-50-7) is an organic fluorinated compound featuring an indole core structure with aldehyde functionality and notable sensitizing properties. This specialized chemical compound belongs to the indole derivative family, characterized by its complex molecular structure incorporating a fluorophenyl substituent and an isopropyl group attached to the indole nitrogen. With a molecular formula of C20H18FNO and molecular weight of 307.4 g/mol, this substance exhibits unique chemical properties derived from its conjugated system linking the indole moiety to an aldehyde group through an extended carbon chain. The compound presents specific safety considerations, classified as a skin sensitizer (Skin Sens. 1) requiring careful handling protocols in industrial applications. Its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates significant aquatic toxicity, necessitating appropriate containment and disposal measures. The GHS07 and GHS09 pictograms reflect both health hazards and environmental concerns, while its ADR Class 9 classification categorizes it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and advanced material development. The compound's structural similarity to other complex organics like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine makes it valuable in synthetic chemistry applications requiring precise molecular modifications. Its aldehyde functionality and indole framework provide versatile reaction sites for further chemical transformations. Professional users appreciate its role in specialized synthetic pathways where fluorinated aromatic compounds are essential. OYSI maintains reliable supply chains for this technical grade material, ensuring consistent availability for qualified industrial customers throughout Europe.
Safety & Classification
Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 3-[3-(4-Fluorphenyl)-1-(1-methylethyl)-1H-indol-2-yl]-trans-2-propenal |
| Marine Pollutant | No |
Frequently Asked Questions
What is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is an organic compound with the molecular formula C20H18FNO and a molecular weight of 307.4 g/mol. This fluorinated indole derivative contains an aldehyde functional group and features a complex aromatic structure with a fluorophenyl substituent. The compound is classified under CAS number 93957-50-7 and is primarily used in specialized chemical applications requiring its unique structural properties.
What are the physicochemical properties of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is a solid organic compound at room temperature with a molecular weight of 307.4 g/mol. The compound contains fluorine, which typically influences its polarity and solubility characteristics. As an aldehyde-containing molecule with aromatic rings, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of the fluorophenyl group and indole structure contributes to its stability and specific reactivity profile.
What is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal used for?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. The compound's unique indole structure with fluorophenyl substitution makes it valuable for developing bioactive molecules and pharmaceutical compounds. Its aldehyde functionality allows for further chemical modifications, making it useful in organic synthesis applications where specific structural features are required for target molecule construction.
How to handle (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal safely?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal requires careful handling due to its skin sensitizing properties (Skin Sens. 1). Wear appropriate personal protective equipment including nitrile gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct contact with skin and eyes, and wash hands thoroughly after handling. The compound carries a Warning signal word indicating moderate hazard potential requiring standard laboratory safety precautions.
How to store (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal correctly?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal should be stored in a cool, dry place away from direct sunlight and heat sources. Keep the container tightly sealed to prevent moisture absorption and contamination. Store away from incompatible materials such as strong oxidizers and bases. Due to its aquatic toxicity classification, ensure proper containment to prevent environmental release. Maintain storage temperature according to manufacturer specifications and ensure adequate ventilation in storage areas to prevent vapor accumulation.
What to do in case of contact with (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal?
Immediate action is required if contact occurs with (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal due to its skin sensitizing properties. For skin contact, immediately wash the affected area with plenty of soap and water for at least 15 minutes. Remove contaminated clothing. If eye contact occurs, flush with clean water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention.
How to dispose of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal appropriately?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal must be disposed of as hazardous waste due to its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1). Contact authorized hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil as this can cause significant environmental harm. Collect waste in appropriate containers and label clearly. Follow local and national regulations for hazardous chemical waste disposal and maintain proper documentation for waste tracking.
How to transport (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. This classification indicates it presents a relatively low transport hazard but still requires proper packaging and documentation. Use UN-approved packaging suitable for Class 9 materials and ensure proper labeling with appropriate hazard markings. Transport documents must include correct shipping names and hazard classifications. Follow ADR regulations for loading, segregation, and vehicle requirements during transport.
Is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal subject to specific regulations?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is subject to EU CLP regulation with GHS07 and GHS09 pictograms and Warning signal word. The compound is not currently listed as a Substance of Very High Concern (SVHC) under REACH regulation. However, it must comply with standard chemical registration requirements and safety data sheet provisions. Users must follow occupational exposure limits and environmental protection measures due to its skin sensitizing and aquatic toxicity properties. National regulations may impose additional handling and use restrictions.
Where to buy (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal in Europe?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is available through OYSI, a specialized European distributor of fine chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance including safety data sheets and proper packaging for safe transport. As a specialized chemical, it may require custom ordering with specific purity grades and quantities. Contact OYSI directly for availability, technical specifications, and delivery options across European markets while ensuring compliance with local regulatory requirements.
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ADR Consulting for (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.