1-(dimethoxymethyl)-2-nitrobenzene
C9H11NO4
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Identification
- CAS Number
- 20627-73-0
- EC Number
- 423-830-9
- UN Number
- 3082
- Index Number
- 601-071-00-6
- PubChem CID
- 140718
Physical-chemical properties
- Molecular Formula
- C9H11NO4
- Molar Mass
- 197.19 g/mol
- IUPAC Name
- 1-(dimethoxymethyl)-2-nitrobenzene
Chemical Identifiers
- InChI
- InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3
- InChI Key
- OAPZTGKQZKPVPF-UHFFFAOYSA-N
Overview
1-(dimethoxymethyl)-2-nitrobenzene (CAS 20627-73-0) is an aromatic nitro compound featuring a benzene ring substituted with both nitro and dimethoxymethyl functional groups. This organic chemical compound represents a versatile intermediate in synthetic chemistry, combining the reactivity of nitroaromatic systems with the protective functionality of dimethoxymethyl groups. The molecule's structure consists of a benzene ring bearing a nitro group at the ortho position relative to a dimethoxymethyl substituent, creating unique electronic and steric properties that make it valuable for specialized chemical transformations. With a molecular formula of C9H11NO4 and molecular weight of 197.19 g/mol, this compound exhibits the characteristic properties of substituted nitrobenzenes while offering enhanced synthetic utility through its acetal functionality. The dimethoxymethyl group serves as a protected form of an aldehyde, allowing for selective reactions and subsequent deprotection under acidic conditions. This dual functionality distinguishes it from simpler nitroaromatic compounds and places it in a specialized category alongside other functionalized aromatics used in pharmaceutical and fine chemical synthesis. The compound is classified as a skin sensitizer (Skin Sens. 1) and presents moderate aquatic toxicity (Aquatic Chronic 2), requiring appropriate handling protocols in industrial applications. Its hazard classification under ADR Class 9 indicates it as a miscellaneous dangerous substance requiring careful transportation and storage procedures. Primary industrial applications include pharmaceutical intermediate synthesis, where its protected aldehyde functionality proves valuable in multi-step synthetic routes, fine chemical manufacturing for specialty products, and research applications in organic synthesis development. The compound's reactivity profile differs from related substances such as 2-phenylsulfanylaniline, offering alternative synthetic pathways in aromatic chemistry. OYSI provides 1-(dimethoxymethyl)-2-nitrobenzene to European chemical manufacturers and research institutions, ensuring reliable supply for specialized synthetic applications.
Safety & Classification
Skin Sens. 1; Aquatic Chronic 2
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1-(Dimethoxymethyl)-2-nitrobenzen |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-(dimethoxymethyl)-2-nitrobenzene?
1-(dimethoxymethyl)-2-nitrobenzene is an organic chemical compound with the molecular formula C9H11NO4 and CAS number 20627-73-0. This aromatic nitro compound features a benzene ring substituted with a nitro group and a dimethoxymethyl group in ortho positions. With a molecular weight of 197.19 g/mol, it belongs to the class of nitrobenzene derivatives and is classified as a skin sensitizer with potential environmental impact on aquatic life.
What are the physicochemical properties of 1-(dimethoxymethyl)-2-nitrobenzene?
1-(dimethoxymethyl)-2-nitrobenzene is a solid organic compound at room temperature with distinctive chemical properties. As a nitrobenzene derivative, it typically exhibits characteristic aromatic properties and may have a yellowish appearance. The compound contains both hydrophobic aromatic and hydrophilic methoxy functional groups, influencing its solubility behavior. Its molecular structure with electron-withdrawing nitro and electron-donating methoxy groups creates specific reactivity patterns typical of substituted aromatic compounds.
What is 1-(dimethoxymethyl)-2-nitrobenzene used for?
1-(dimethoxymethyl)-2-nitrobenzene serves as an important chemical intermediate in organic synthesis and pharmaceutical manufacturing. This compound is primarily used in the production of fine chemicals, active pharmaceutical ingredients (APIs), and advanced organic materials. Its unique substitution pattern makes it valuable for developing complex molecular structures in medicinal chemistry and specialty chemical applications. The compound finds applications in research laboratories and industrial synthesis where specific aromatic building blocks are required.
How to handle 1-(dimethoxymethyl)-2-nitrobenzene safely?
1-(dimethoxymethyl)-2-nitrobenzene requires careful handling due to its skin sensitization properties (Skin Sens. 1). Personnel must wear appropriate personal protective equipment including nitrile gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods. Avoid generating dust or vapors, and ensure proper hygiene measures including thorough handwashing after handling. Emergency eyewash stations and safety showers should be readily accessible.
How to store 1-(dimethoxymethyl)-2-nitrobenzene correctly?
1-(dimethoxymethyl)-2-nitrobenzene should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from strong oxidizing agents, reducing agents, and incompatible materials. Maintain storage temperatures according to supplier specifications and ensure proper labeling with hazard information. Storage areas should be equipped with appropriate spill containment measures and emergency response equipment.
What to do in case of contact with 1-(dimethoxymethyl)-2-nitrobenzene?
Immediate action is required if contact with 1-(dimethoxymethyl)-2-nitrobenzene occurs due to its skin sensitization properties. For skin contact, immediately 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 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or develops, and provide the safety data sheet to medical personnel.
How to dispose of 1-(dimethoxymethyl)-2-nitrobenzene appropriately?
1-(dimethoxymethyl)-2-nitrobenzene must be disposed of according to local, national, and international waste regulations due to its classification as Aquatic Chronic 2. Do not discharge into drains, waterways, or soil. Collect waste in appropriate containers and label clearly for hazardous waste disposal. Contact licensed waste management companies specialized in chemical waste treatment. Incineration at authorized facilities with appropriate emission controls is typically the preferred disposal method. Ensure compliance with REACH and local environmental protection requirements.
How to transport 1-(dimethoxymethyl)-2-nitrobenzene?
1-(dimethoxymethyl)-2-nitrobenzene is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Packages must display appropriate hazard labels and proper shipping names. Transport vehicles must carry emergency response information and appropriate fire extinguishing equipment. Drivers require ADR certification for Class 9 materials, and transport must follow designated routes with proper emergency preparedness measures.
Is 1-(dimethoxymethyl)-2-nitrobenzene subject to particular regulations?
1-(dimethoxymethyl)-2-nitrobenzene is subject to multiple regulatory frameworks including REACH registration requirements in the European Union and CLP classification regulations. The compound is classified under GHS with pictograms GHS07 and GHS09, requiring appropriate labeling and safety data sheets. While not currently listed as an SVHC (Substance of Very High Concern), its skin sensitization and aquatic toxicity properties require compliance with occupational health regulations and environmental protection measures across different jurisdictions.
Where to buy 1-(dimethoxymethyl)-2-nitrobenzene in Europe?
1-(dimethoxymethyl)-2-nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance, including proper REACH registration, safety data sheets, and quality documentation. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for industrial and research applications. Contact OYSI directly for availability, specifications, packaging options, and regulatory documentation specific to your requirements and location within Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.