(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 compound featuring chlorophenyl and nitrophenyl functional groups with distinctive cyclopropyl substitution. This specialized chemical compound belongs to the family of substituted methanimines, characterized by its complex molecular structure incorporating both electron-withdrawing and electron-donating groups. The presence of the 4-chlorophenyl moiety, combined with the cyclopropyl ring and the nitrophenylmethoxy substituent, creates a molecule with unique electronic properties that make it valuable for specific industrial applications. The compound exhibits significant structural complexity with its molecular formula C17H15ClN2O3 and molecular weight of 330.8 g/mol. Its stereochemistry is defined by the E-configuration around the imine double bond, which is crucial for its biological and chemical activity. The molecule contains multiple aromatic systems that contribute to its stability and reactivity profile. From a safety perspective, this compound requires careful handling due to its classification as a skin sensitizer (Skin Sens. 1) and its environmental impact classification (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, necessitating appropriate personal protective equipment and environmental controls during handling and storage. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, particularly in the development of compounds requiring precise stereochemical control. The compound also finds applications in specialty chemical manufacturing and as a building block for more complex molecular structures. Its relationship to other specialized compounds like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine demonstrates its role in the broader family of cyclopropyl-containing pharmaceutical intermediates. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality chemical 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 contains both chlorophenyl and nitrophenyl functional groups connected through a cyclopropyl-methanimine structure. It is classified as a skin sensitizer and poses risks to aquatic environments, requiring careful handling in industrial applications.
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 complex organic molecule with a molecular weight of 330.8 g/mol. The compound features aromatic rings with chloro and nitro substituents, which typically influence its physical properties such as melting point and solubility. The presence of the methanimine functional group and cyclopropyl structure contributes to its chemical reactivity. Specific physical properties like color, odor, and exact solubility data would require detailed analytical characterization.
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 typically used as an intermediate in organic synthesis and pharmaceutical research. The compound's unique structural features, including the cyclopropyl group and aromatic systems, make it valuable for developing specialized chemical products. It may serve as a building block for more complex molecules in fine chemical manufacturing or as a research compound in academic and industrial laboratories focused on drug discovery or material science applications.
How to safely handle (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine requires careful handling due to its skin sensitization properties (Skin Sens. 1). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods. Avoid direct contact with skin and eyes, and wash hands thoroughly after handling. The Warning signal word indicates moderate hazard level, but proper safety protocols must be followed consistently.
How to properly store (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(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 with pictograms GHS07 and GHS09. Storage areas should be secure and accessible only to trained personnel. Due to its aquatic toxicity classification, prevent release to the environment and ensure proper containment. Store away from heat sources and maintain appropriate temperature conditions to preserve chemical stability.
What to do in case of contact with (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
Immediate action is required if contact occurs with (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to the skin sensitization hazard, monitor for allergic reactions and consult a physician if symptoms develop. Keep safety data sheet readily available for emergency responders.
How to properly dispose of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine must be disposed of according to local and national hazardous waste regulations. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be released into the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Incineration at appropriate high-temperature facilities may be suitable. Empty containers should also be treated as hazardous waste. Maintain disposal records and ensure compliance with European waste legislation including the Waste Framework Directive.
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 as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. This classification requires specific packaging, marking, and documentation for transport. Use UN-approved packaging suitable for Packing Group III substances. Transport documents must include proper shipping names and hazard classifications. Vehicles must display appropriate placards, and drivers need ADR training certificates. Ensure compliance with European transport regulations and maintain proper documentation throughout the shipping process for safe and legal transport.
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 REACH registration requirements in the European Union and must comply with CLP regulation for classification and labeling. The substance is not currently identified as a Substance of Very High Concern (SVHC). Manufacturers and importers must ensure proper registration, evaluation, and authorization procedures. The compound requires appropriate safety data sheets and hazard communication according to GHS standards. Users must implement risk management measures and comply with occupational health and safety legislation in their respective countries.
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 support. As an established chemical distributor, OYSI ensures quality standards and reliable supply chains for industrial customers across Europe. Contact OYSI directly for availability, technical specifications, and ordering information. Their expertise in chemical distribution ensures proper handling, packaging, and delivery according to European regulations and safety standards.
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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.