(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
C17H15ClN2O3
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Identification
- CAS Number
- 94097-88-8
- EC Number
- 406-100-4
- UN Number
- 3077
- Index Number
- 609-061-00-3
- PubChem CID
- 5933802
Physical-chemical properties
- Molecular Formula
- C17H15ClN2O3
- Molar Mass
- 330.80 g/mol
- IUPAC Name
- (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
Chemical Identifiers
- InChI
- InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2/b19-17+
- InChI Key
- LZLLLIXVUHWOKV-HTXNQAPBSA-N
Overview
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine (CAS 94097-88-8) is an organic imine compound featuring chlorophenyl and nitrophenyl aromatic substituents with cyclopropyl functionality. This specialized organic compound belongs to the imine family, characterized by its distinctive molecular structure containing both electron-withdrawing chlorine and nitro substituents alongside a cyclopropyl ring system. The presence of these functional groups contributes to its unique chemical reactivity and makes it valuable for specific synthetic applications in organic chemistry. With a molecular formula of C17H15ClN2O3 and molecular weight of 330.8 g/mol, this compound exhibits properties typical of substituted aromatic imines. From a safety perspective, this substance requires careful handling due to its classification as a skin sensitizer (Skin Sens. 1) and its potential environmental impact, being classified as acutely and chronically toxic to aquatic life (Aquatic Acute 1, Aquatic Chronic 1). The GHS07 and GHS09 pictograms with a "Warning" signal word indicate the need for appropriate personal protective equipment and environmental precautions during handling and storage. As a Class 9 ADR substance, specific transportation requirements must be followed. Industrial applications typically include use as a synthetic intermediate in pharmaceutical manufacturing, specialty chemical production, and advanced organic synthesis processes. The compound's structural similarity to other cyclopropyl-containing molecules like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine makes it particularly relevant in medicinal chemistry applications where cyclopropyl groups are incorporated for their metabolic stability properties. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-quality organic intermediates.
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 | 4-Chlorphenyl(cyclopropyl)keton-O-(4-nitrophenylmethyl)oxim, cis/trans-Isomerengemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is an organic chemical compound with the molecular formula C17H15ClN2O3 and CAS number 94097-88-8. This substance has a molecular weight of 330.8 g/mol and belongs to the class of substituted methanimes. It contains chlorophenyl, cyclopropyl, and nitrophenyl functional groups, making it a complex aromatic compound with potential applications in chemical synthesis and research.
What are the physicochemical properties of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is a solid organic compound with a molecular weight of 330.8 g/mol. The presence of aromatic rings, chlorine substitution, and nitro groups suggests it is likely a crystalline solid at room temperature with limited water solubility due to its hydrophobic aromatic character. The compound's specific physical properties such as melting point, boiling point, and exact solubility data would require experimental determination or detailed technical documentation.
What is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine used for?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its complex structure containing multiple functional groups makes it valuable for developing new chemical compounds, particularly in medicinal chemistry applications. The compound may serve as a building block for creating more complex molecules or as a reference standard in analytical chemistry. Its specific applications depend on the particular research or industrial synthesis requirements.
How to handle (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine safely?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine must be handled with appropriate personal protective equipment due to its skin sensitization properties (Skin Sens. 1). Wear protective gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound carries GHS07 and GHS09 pictograms with a 'Warning' signal word, indicating moderate health hazards and environmental concerns requiring careful handling procedures.
How to store (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine correctly?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Due to its environmental hazard classification (Aquatic Acute 1; Aquatic Chronic 1), ensure secondary containment to prevent environmental release. Store away from heat sources, strong oxidizers, and reactive chemicals. Maintain appropriate inventory records and regularly inspect storage conditions to ensure container integrity.
What to do in case of contact with (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
In case of skin contact with (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to the compound's skin sensitization properties, monitor for allergic reactions and consult a physician if symptoms develop or persist after exposure.
How to dispose of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine appropriately?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine must be disposed of as hazardous waste according to local and national environmental regulations. Due to its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1), prevent release to water systems or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers or water bodies. Maintain disposal records and follow all applicable waste management regulations including proper labeling and documentation of waste materials.
How to transport (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation for road transport. Use UN-approved packaging suitable for Class 9 materials and ensure proper marking with UN numbers and hazard labels. Transport vehicles must carry appropriate safety equipment and documentation. Follow ADR regulations for loading, segregation, and emergency procedures during transportation within Europe.
Is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine subject to specific regulations?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is subject to standard EU chemical regulations including REACH and CLP requirements. The compound is not currently listed as a Substance of Very High Concern (SVHC). It must be classified and labeled according to CLP regulation with appropriate hazard statements for skin sensitization and aquatic toxicity. Suppliers must provide Safety Data Sheets and ensure proper registration under REACH if imported or manufactured in quantities exceeding regulatory thresholds.
Where to buy (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine in Europe?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for research and industrial applications. As an established chemical distributor, OYSI ensures quality products and reliable supply chains throughout Europe. Contact OYSI directly for availability, specifications, packaging options, and technical support for this specialized chemical compound.
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(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine 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.