2-nitro-2-phenylpropane-1,3-diol

C9H11NO4

CAS5428-02-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 dual hydroxyl functionality. This specialized chemical compound, also identified by EC number 410-360-4, represents a unique molecular structure combining a nitro group, phenyl ring, and diol configuration within its C9H11NO4 framework. With a molecular weight of 197.19 g/mol, this substance exhibits distinctive properties that make it valuable in specific industrial applications requiring both antimicrobial activity and chemical reactivity. The compound's safety profile requires careful handling due to its classification under multiple hazard categories, including acute toxicity, specific target organ toxicity following repeated exposure, and skin sensitization potential. These characteristics are reflected in its ADR Class 6.1 designation and the requirement for appropriate safety pictograms during transport and storage. The presence of both nitro and hydroxyl functional groups contributes to its biological activity while also influencing its chemical behavior in various formulations. Primary industrial applications include its use as an antimicrobial agent in cosmetic and personal care formulations, where its efficacy against bacterial and fungal contamination provides product preservation. The compound also finds application in specialized chemical synthesis processes and as an intermediate in pharmaceutical development. Unlike simpler compounds such as benzene-1,3-diol, this nitro-substituted diol offers enhanced antimicrobial properties while maintaining chemical stability under controlled conditions. OYSI maintains reliable supply chains for 2-nitro-2-phenylpropane-1,3-diol, ensuring consistent availability for European industrial customers requiring this specialized antimicrobial compound.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H411

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

Skin Contact

Harmful

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:

Ingestion

Harmful

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 Number2811
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name2-Nitro-2-phenylpropan-1,3-diol
Marine PollutantNo

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 features a phenyl ring attached to a propane backbone containing two hydroxyl groups and a nitro group. With a molecular weight of 197.19 g/mol, it belongs to the class of nitro compounds and diols, making it useful in various chemical synthesis applications.

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, typically appearing as a white to off-white crystalline powder. The presence of hydroxyl groups makes it moderately polar, providing some water solubility while the phenyl ring contributes to its organic solvent compatibility. The nitro group influences its chemical reactivity and stability properties, requiring careful handling conditions.

What is 2-nitro-2-phenylpropane-1,3-diol used for?

2-nitro-2-phenylpropane-1,3-diol is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its unique structure with both hydroxyl and nitro functional groups makes it valuable for creating complex molecular frameworks. The compound serves as a building block in the production of specialty chemicals and may be used in research applications for developing new chemical entities.

How to handle 2-nitro-2-phenylpropane-1,3-diol safely?

2-nitro-2-phenylpropane-1,3-diol requires careful handling due to its Acute Tox. 4, STOT RE 1, and Skin Sens. 1 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work in well-ventilated areas or under fume hoods, avoid skin contact and inhalation, and ensure proper training before handling. Always follow the safety data sheet recommendations and local safety protocols.

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 heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers, reducing agents, and bases. Ensure storage areas are equipped with appropriate containment measures and access is restricted to trained personnel only.

What to do in case of contact with 2-nitro-2-phenylpropane-1,3-diol?

Immediate action is required upon contact with 2-nitro-2-phenylpropane-1,3-diol due to its toxic and sensitizing properties. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek medical attention promptly in all cases and provide the safety data sheet to medical personnel.

How to dispose of 2-nitro-2-phenylpropane-1,3-diol appropriately?

2-nitro-2-phenylpropane-1,3-diol must be disposed of according to local and national hazardous waste regulations due to its toxic properties and environmental impact classification (Aquatic Chronic 2). Contact licensed waste disposal companies specializing in chemical waste management. Never dispose of through regular waste streams or pour down drains. Maintain proper documentation of disposal activities and ensure compliance with all applicable environmental regulations.

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 purposes. This classification requires specific packaging standards, labeling with appropriate hazard symbols, and proper shipping documentation. Transportation must comply with ADR regulations for road transport in Europe, including driver training requirements and emergency response procedures. Only use approved packaging and certified transport companies.

Is 2-nitro-2-phenylpropane-1,3-diol subject to specific regulations?

2-nitro-2-phenylpropane-1,3-diol is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The substance carries GHS pictograms (GHS07, GHS08, GHS09) and requires appropriate safety data sheets. While not currently listed as an SVHC substance, its toxic properties mean it may be subject to workplace exposure limits and environmental monitoring requirements in different jurisdictions.

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. OYSI provides this compound with proper regulatory compliance, including safety data sheets and transport documentation. As a professional chemical distributor, OYSI ensures quality standards and regulatory compliance for industrial and research applications throughout Europe. Contact OYSI directly for availability, technical specifications, and ordering information.

Data Sources

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