2-nitro-2-phenylpropane-1,3-diol
C9H11NO4
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Identification
- CAS Number
- 5428-02-4
- EC Number
- 410-360-4
- UN Number
- 2811
- Index Number
- 609-058-00-7
- PubChem CID
- 224393
Physical-chemical properties
- Molecular Formula
- C9H11NO4
- Molar Mass
- 197.19 g/mol
- IUPAC Name
- 2-nitro-2-phenylpropane-1,3-diol
Chemical Identifiers
- InChI
- InChI=1S/C9H11NO4/c11-6-9(7-12,10(13)14)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
- InChI Key
- AJRYCRIQZBMNEO-UHFFFAOYSA-N
Overview
2-nitro-2-phenylpropane-1,3-diol (CAS 5428-02-4) is an organic nitro compound with antimicrobial properties and significant safety considerations requiring careful handling protocols. This specialized chemical intermediate belongs to the family of nitro-substituted aromatic compounds, characterized by its unique molecular structure featuring both hydroxyl groups and a nitro functional group attached to a phenyl-substituted carbon backbone. With the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol, this compound exhibits distinctive chemical properties that make it valuable in specific industrial applications while requiring stringent safety measures due to its hazard classification. The compound is classified under multiple hazard categories including Acute Toxicity Category 4, Specific Target Organ Toxicity Repeated Exposure Category 1, Skin Sensitization Category 1, and Aquatic Chronic Category 2. These classifications necessitate proper handling procedures, appropriate personal protective equipment, and compliance with ADR Class 6.1 transportation regulations. The presence of GHS pictograms GHS07, GHS08, and GHS09 with the signal word "Danger" emphasizes the importance of following established safety protocols during storage, handling, and processing. Industrial applications of 2-nitro-2-phenylpropane-1,3-diol primarily include its use as an antimicrobial agent in specialized formulations and as a chemical intermediate in organic synthesis processes. The compound's structural similarity to other industrial chemicals such as benzene-1,3-diol allows for complementary applications in certain chemical manufacturing processes. Its effectiveness in antimicrobial applications makes it particularly valuable in industrial preservation systems where traditional preservatives may not provide adequate protection. OYSI maintains availability of 2-nitro-2-phenylpropane-1,3-diol for qualified industrial customers requiring this specialized chemical intermediate for their manufacturing processes.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 1; 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
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
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 | 2811 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | 2-Nitro-2-phenylpropan-1,3-diol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-nitro-2-phenylpropane-1,3-diol?
2-nitro-2-phenylpropane-1,3-diol is an organic chemical compound with the molecular formula C9H11NO4 and CAS number 5428-02-4. This substance has a molecular weight of 197.19 g/mol and contains both nitro and diol functional groups attached to a phenylpropane backbone. It is classified as a hazardous chemical requiring special handling precautions due to its toxicological properties and environmental impact potential.
What are the physicochemical properties of 2-nitro-2-phenylpropane-1,3-diol?
2-nitro-2-phenylpropane-1,3-diol is a solid organic compound at room temperature with a molecular weight of 197.19 g/mol. The presence of both hydroxyl groups and the nitro functionality suggests moderate polarity, making it potentially soluble in polar solvents. Its phenyl ring contributes to its aromatic character, while the diol groups provide hydrogen bonding capability, influencing its physical properties and solubility behavior.
What is 2-nitro-2-phenylpropane-1,3-diol used for?
2-nitro-2-phenylpropane-1,3-diol is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its unique structure, containing both nitro and diol functionalities, makes it valuable for organic synthesis reactions. It may serve as a building block for more complex molecules in medicinal chemistry applications or as a precursor in the manufacture of specialized chemical products requiring its specific functional group combination.
How to handle 2-nitro-2-phenylpropane-1,3-diol safely?
2-nitro-2-phenylpropane-1,3-diol must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction due to its Acute Tox. 4 classification and skin sensitization potential. Avoid direct skin contact and inhalation, as the substance can cause acute toxicity and repeated exposure may lead to organ damage.
How to store 2-nitro-2-phenylpropane-1,3-diol correctly?
2-nitro-2-phenylpropane-1,3-diol should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture due to its diol functionality. Storage areas should be equipped with appropriate spill containment measures and restricted access due to its hazardous classification. Avoid exposure to heat sources and ensure compatibility with storage container materials.
What to do in case of contact with 2-nitro-2-phenylpropane-1,3-diol?
In case of skin contact with 2-nitro-2-phenylpropane-1,3-diol, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, rinse with clean water for 15 minutes. Seek medical attention if irritation persists or if significant exposure has occurred, especially considering its skin sensitization and acute toxicity properties.
How to dispose of 2-nitro-2-phenylpropane-1,3-diol appropriately?
2-nitro-2-phenylpropane-1,3-diol must be disposed of as hazardous waste through licensed waste management companies in accordance with local and European waste regulations. The substance cannot be disposed of in regular waste streams due to its toxicological properties and environmental impact. Contact certified hazardous waste disposal services and provide safety data sheets to ensure proper treatment and disposal methods are employed.
How to transport 2-nitro-2-phenylpropane-1,3-diol?
2-nitro-2-phenylpropane-1,3-diol is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling with proper hazard markings, and transport documentation. Vehicles must comply with ADR regulations for toxic substances, including proper ventilation and emergency equipment. Only authorized carriers experienced in hazardous materials transport should handle shipments of this substance.
Is 2-nitro-2-phenylpropane-1,3-diol subject to specific regulations?
2-nitro-2-phenylpropane-1,3-diol is subject to European REACH and CLP regulations due to its hazardous properties. It is classified with multiple hazard classes including acute toxicity, skin sensitization, and specific target organ toxicity. While not currently listed as an SVHC substance, it requires safety data sheets, proper labeling with GHS pictograms (GHS07, GHS08, GHS09), and compliance with occupational exposure limits where applicable.
Where to buy 2-nitro-2-phenylpropane-1,3-diol in Europe?
2-nitro-2-phenylpropane-1,3-diol is available through OYSI, a specialized European distributor of technical chemicals. As an authorized supplier, OYSI can provide this substance with proper documentation, safety data sheets, and regulatory compliance support. Professional customers requiring this chemical intermediate for synthesis or research applications can contact OYSI for availability, specifications, and technical support throughout European markets.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.