(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal

C20H18FNO

CAS93957-50-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 a fluorinated indole derivative with aldehyde functionality and potential photosensitizing properties. This organic compound represents a sophisticated example of heterocyclic chemistry, combining an indole core structure with a fluorinated phenyl substituent and an α,β-unsaturated aldehyde chain. The molecular formula C20H18FNO indicates the presence of fluorine, which often enhances biological activity and metabolic stability in pharmaceutical applications. With a molecular weight of 307.4 g/mol, this compound falls within the optimal range for many industrial applications while maintaining reasonable handling characteristics. The substance requires careful handling due to its classification as a skin sensitizer (Skin Sens. 1) and its significant environmental impact, being classified as both acutely and chronically hazardous to aquatic life (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms reflect these health and environmental concerns, necessitating appropriate personal protective equipment and environmental containment measures during use. As a Class 9 material under ADR regulations, it requires specific transport protocols for safe distribution. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, particularly in the development of compounds targeting neurological pathways, and as a building block in advanced materials research. The compound's structural complexity makes it valuable in medicinal chemistry, where it may serve similar synthetic roles to other specialized reagents like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine in pharmaceutical intermediate synthesis. Research applications often focus on its potential photochemical properties and fluorescence characteristics. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European customers requiring high-purity chemical intermediates for research and industrial applications.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name3-[3-(4-Fluorphenyl)-1-(1-methylethyl)-1H-indol-2-yl]-trans-2-propenal
Marine PollutantNo

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 chemical compound with CAS number 93957-50-7 and molecular formula C20H18FNO. This fluorinated indole derivative has a molecular weight of 307.4 g/mol and features an aldehyde functional group. The compound is classified as a skin sensitizer and poses environmental hazards to aquatic life, requiring careful handling and environmental protection measures during use.

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 with a molecular weight of 307.4 g/mol. As a fluorinated aromatic aldehyde containing an indole ring system, it exhibits typical properties of such compounds including limited water solubility and stability under normal conditions. The presence of the fluorophenyl group and conjugated system influences its physical properties and reactivity patterns in chemical applications.

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 and fine chemical synthesis. Its indole structure and aldehyde functionality make it valuable for developing pharmaceutical compounds, particularly those targeting biological pathways involving indole derivatives. The compound may also serve in research applications for studying fluorinated aromatic compounds and their biological activities in specialized chemical manufacturing processes.

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 sensitization potential. Workers must wear protective gloves, safety glasses, and protective clothing to prevent skin contact. Adequate ventilation is essential to minimize inhalation exposure. The compound poses acute and chronic aquatic hazards, so environmental release must be prevented. All handling should occur in controlled environments with appropriate spill containment measures and emergency procedures readily available.

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, well-ventilated area away from direct sunlight and heat sources. The compound must be kept in tightly sealed containers to prevent environmental contamination due to its aquatic toxicity. Storage areas should have appropriate spill containment measures and be separated from incompatible materials. Regular inspection of containers and proper labeling according to GHS requirements are essential for safe storage.

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 upon contact with (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal due to its skin sensitization properties. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes. If inhaled, move to fresh air. Seek medical attention if irritation persists or allergic reactions develop. Never induce vomiting if ingested.

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 through authorized hazardous waste disposal facilities due to its environmental hazard classification. The compound cannot be released into waterways or soil due to its acute and chronic aquatic toxicity. Disposal must comply with local, national, and EU waste regulations. Incineration at licensed facilities capable of handling halogenated compounds is typically the preferred method, ensuring complete destruction while preventing environmental contamination.

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 substances), Packing Group III for transportation. This classification reflects its environmental hazard profile and requires appropriate packaging, labeling, and documentation during transport. Shipments must comply with ADR regulations for dangerous goods, including proper packaging specifications, hazard labels, and transport documentation. Carriers must be certified for dangerous goods transportation and follow specific handling procedures.

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 REACH regulation requiring registration for manufacture or import above specified tonnages. The compound is classified under CLP regulation with GHS07 and GHS09 pictograms and 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with classification, labeling, and packaging requirements, maintain safety data sheets, and implement appropriate risk management measures throughout the supply chain.

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 technical chemicals. OYSI provides this compound to pharmaceutical, research, and industrial customers across Europe with appropriate documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European regulations including REACH and CLP requirements, offering reliable supply chain management for specialized chemical needs.

Services for (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal

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(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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.