(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone

C14H10ClNO4

CAS66938-41-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
66938-41-8
EC Number
423-290-4
UN Number
3077
Index Number
606-061-00-5
PubChem CID
736109

Physical-chemical properties

Molecular Formula
C14H10ClNO4
Molar Mass
291.68 g/mol
IUPAC Name
(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone

Chemical Identifiers

InChI
InChI=1S/C14H10ClNO4/c1-20-13-6-5-10(8-12(13)16(18)19)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3
InChI Key
BBKNLCMVMVDRJA-UHFFFAOYSA-N

Overview

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone (CAS 66938-41-8) is an aromatic ketone compound featuring chlorinated and nitrated phenyl substituents with mutagenic properties. This specialized organic compound represents a complex aromatic ketone structure characterized by the presence of both electron-withdrawing and electron-donating substituents. The molecule incorporates a 3-chlorophenyl group and a 4-methoxy-3-nitrophenyl group connected through a carbonyl bridge, creating a compound with distinctive chemical properties. With a molecular weight of 291.68 g/mol and molecular formula C14H10ClNO4, this substance belongs to the class of substituted benzophenone derivatives. The compound exhibits significant safety considerations due to its classification as a Category 2 mutagen, requiring careful handling protocols and appropriate personal protective equipment. Its environmental hazard profile includes both acute and chronic aquatic toxicity, necessitating proper containment and disposal procedures. The substance falls under ADR Class 9 for transportation purposes and displays GHS08 and GHS09 pictograms, indicating health and environmental hazards respectively. Industrial applications typically involve its use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications requiring aromatic ketone functionalities. The compound's unique substitution pattern makes it valuable for organic synthesis pathways where specific electronic and steric properties are required. It shares structural similarities with other specialized intermediates such as propan-2-yl N-(3-chlorophenyl)carbamate, which also features chlorinated aromatic systems in pharmaceutical applications. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for qualified industrial customers throughout Europe.

Safety & Classification

Warning
Classification:

Muta. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H341

Suspected of causing genetic defects.

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name(3-Chlorphenyl)-(4-methoxy-3-nitrophenyl)methanon
Marine PollutantNo

Frequently Asked Questions

What is (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone is an organic chemical compound with the molecular formula C14H10ClNO4 and CAS number 66938-41-8. This aromatic ketone has a molecular weight of 291.68 g/mol and contains chlorine, methoxy, and nitro functional groups. It is classified as a mutagenic substance (Category 2) and poses acute and chronic aquatic hazards, requiring careful handling in industrial applications.

What are the physicochemical properties of (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone is a solid organic compound at room temperature with a molecular weight of 291.68 g/mol. As an aromatic ketone containing electron-withdrawing groups (chlorine and nitro), it typically exhibits limited water solubility but good solubility in organic solvents. The presence of multiple aromatic rings and polar functional groups influences its melting point and stability characteristics.

What is (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone used for?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone serves as an important intermediate in organic synthesis and pharmaceutical research. Its aromatic ketone structure with reactive functional groups makes it valuable for developing pharmaceutical compounds, agrochemicals, and specialty chemicals. The compound is primarily used in laboratory settings and chemical manufacturing processes requiring precise synthetic building blocks for complex molecular structures.

How to handle (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone safely?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone requires careful handling due to its mutagenic properties and aquatic toxicity. Essential safety measures include wearing appropriate personal protective equipment (gloves, safety goggles, lab coats), working in well-ventilated areas or under fume hoods, and avoiding direct contact with skin or eyes. Handle only the minimum quantities needed and ensure proper training on hazard communication and emergency procedures.

How to store (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone correctly?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and properly labeled with hazard information. Store separately from food, beverages, and animal feed. Ensure storage areas have appropriate containment measures to prevent environmental release, given its aquatic toxicity classification.

What to do in case of contact with (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone?

Immediate action is required if contact occurs with (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the compound's mutagenic properties, and provide safety data sheet information to medical personnel.

How to dispose of (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone appropriately?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone must be disposed of through licensed hazardous waste disposal services due to its mutagenic properties and aquatic toxicity. Never discharge into sewers, water bodies, or soil. Collect waste in appropriate containers, label clearly, and arrange pickup by certified waste management companies. Follow local, national, and EU regulations for hazardous chemical waste disposal, including proper documentation and manifesting procedures.

How to transport (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transportation must comply with ADR/RID requirements for road/rail transport within Europe, including proper vehicle placarding, driver training, and emergency response information during shipment.

Is (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone subject to specific regulations?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone is subject to REACH registration requirements and CLP classification regulations within the European Union. While not currently listed as a Substance of Very High Concern (SVHC), its mutagenic Category 2 classification requires compliance with specific labeling, safety data sheet, and risk management measures. Users must follow occupational exposure limits and environmental protection requirements under relevant EU chemical legislation.

Where to buy (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone in Europe?

(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance support throughout Europe. As an established chemical distributor, OYSI ensures quality products and reliable supply chains for research institutions, pharmaceutical companies, and chemical manufacturers requiring this specialized aromatic ketone intermediate.

Data Sources

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