2-bromo-2-nitropropane-1,3-diol
C3H6BrNO4
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Identification
- CAS Number
- 52-51-7
- EC Number
- 200-143-0
- UN Number
- 3241
- Index Number
- 603-085-00-8
- PubChem CID
- 2450
Physical-chemical properties
- Molecular Formula
- C3H6BrNO4
- Molar Mass
- 199.99 g/mol
- IUPAC Name
- 2-bromo-2-nitropropane-1,3-diol
Chemical Identifiers
- InChI
- InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
- InChI Key
- LVDKZNITIUWNER-UHFFFAOYSA-N
Overview
2-bromo-2-nitropropane-1,3-diol (CAS 52-51-7) is an antimicrobial compound with potent biocidal properties used in industrial preservation applications. This halogenated organic compound, also known by its EC number 200-143-0, represents a specialized class of antimicrobial agents characterized by the presence of both bromine and nitro functional groups attached to a propanediol backbone. With a molecular formula of C3H6BrNO4 and molecular weight of 199.99 g/mol, this crystalline substance exhibits exceptional biocidal efficacy against a broad spectrum of microorganisms including bacteria, fungi, and yeasts. The compound's antimicrobial activity stems from its ability to release formaldehyde and other reactive intermediates that disrupt cellular metabolism in target microorganisms. This mechanism of action makes it particularly effective in aqueous systems where traditional preservatives may fail. However, its potent biological activity necessitates careful handling protocols due to its classification under multiple hazard categories including acute toxicity, skin irritation, and serious eye damage, as indicated by GHS pictograms GHS07, GHS05, and GHS09. Primary industrial applications include use as a preservative in metalworking fluids, adhesives, and various water-based industrial formulations where microbial contamination poses significant operational or quality concerns. The compound shares certain antimicrobial characteristics with other specialized biocides, though its specific chemical structure differs significantly from compounds like 4-nitrosophenol, which operates through different mechanistic pathways. Due to its classification as a dangerous good under ADR Class 4.1 and its environmental impact on aquatic systems, proper storage, handling, and disposal procedures are essential. OYSI maintains this specialized antimicrobial compound as part of our comprehensive portfolio of industrial preservation chemicals for qualified technical applications.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; STOT SE 3; Skin Irrit. 2; Eye Dam. 1; Aquatic Acute 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | 3241 |
| ADR Class | 4.1 |
| Packing Group | III |
| Tunnel Code | D |
| Proper Shipping Name | 2-Brom-2-nitropropan-1,3-diol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-bromo-2-nitropropane-1,3-diol?
2-bromo-2-nitropropane-1,3-diol is an organic chemical compound with CAS number 52-51-7 and molecular formula C3H6BrNO4. This brominated nitro compound has a molecular weight of 199.99 g/mol and contains both bromine and nitro functional groups attached to a propanediol backbone. It is classified as a hazardous substance with multiple safety concerns including acute toxicity, skin and eye irritation, and aquatic toxicity.
What are the physicochemical properties of 2-bromo-2-nitropropane-1,3-diol?
2-bromo-2-nitropropane-1,3-diol is a solid compound at room temperature with significant polarity due to its hydroxyl and nitro groups. The presence of bromine and nitro functionalities affects its solubility characteristics, making it moderately soluble in polar solvents. Its molecular structure with two hydroxyl groups provides hydrogen bonding capabilities, influencing both its physical state and interaction with other substances.
What is 2-bromo-2-nitropropane-1,3-diol used for?
2-bromo-2-nitropropane-1,3-diol is primarily used as a preservative and antimicrobial agent in industrial applications. Its biocidal properties make it effective against bacteria, fungi, and other microorganisms in various formulations. The compound is commonly employed in cosmetic preservation, industrial water treatment systems, and as an active ingredient in antimicrobial products where broad-spectrum efficacy is required.
How to handle 2-bromo-2-nitropropane-1,3-diol safely?
2-bromo-2-nitropropane-1,3-diol requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid skin and eye contact as the substance causes skin irritation and serious eye damage. Use non-sparking tools and equipment due to its flammable solid classification under ADR 4.1.
How to store 2-bromo-2-nitropropane-1,3-diol correctly?
2-bromo-2-nitropropane-1,3-diol must be stored in a cool, dry, well-ventilated area away from heat sources and ignition sources. Keep containers tightly sealed and protect from moisture and direct sunlight. Store separately from incompatible materials such as strong oxidizers, reducing agents, and bases. Ensure storage areas have appropriate fire suppression systems and maintain temperatures below decomposition point to prevent hazardous decomposition.
What to do in case of contact with 2-bromo-2-nitropropane-1,3-diol?
2-bromo-2-nitropropane-1,3-diol contact requires immediate first aid measures. For skin contact, immediately wash with plenty of water for at least 15 minutes and remove contaminated clothing. In case of eye contact, flush immediately with water for at least 15 minutes and seek immediate medical attention due to serious eye damage potential. If inhaled, move to fresh air immediately and seek medical attention if respiratory irritation occurs.
How to dispose of 2-bromo-2-nitropropane-1,3-diol appropriately?
2-bromo-2-nitropropane-1,3-diol disposal must comply with local, national, and European waste regulations as hazardous waste. The substance requires specialized disposal through licensed waste management facilities capable of handling toxic and environmentally hazardous materials. Never dispose of in regular waste streams, sewers, or waterways due to its aquatic toxicity classification. Contact authorized waste disposal companies for proper collection and treatment procedures.
How to transport 2-bromo-2-nitropropane-1,3-diol?
2-bromo-2-nitropropane-1,3-diol is classified under ADR Class 4.1 (Flammable Solids) Packing Group III for transport purposes. Shipments require appropriate UN specification packaging, proper labeling with GHS pictograms (GHS05, GHS07, GHS09), and transport documents indicating the hazard class. Carriers must be trained in dangerous goods handling and emergency procedures. Ensure compliance with ADR regulations for road transport within Europe.
Is 2-bromo-2-nitropropane-1,3-diol subject to specific regulations?
2-bromo-2-nitropropane-1,3-diol is regulated under European REACH and CLP regulations requiring registration, classification, and safety data sheets. While not currently listed as a Substance of Very High Concern (SVHC), its hazard profile requires compliance with occupational exposure limits and environmental protection measures. Users must implement risk management measures and may require authorization for certain uses under biocide regulations.
Where to buy 2-bromo-2-nitropropane-1,3-diol in Europe?
2-bromo-2-nitropropane-1,3-diol is available through OYSI, a specialized European chemical distributor offering high-quality chemical products to industrial customers. OYSI provides comprehensive technical support, regulatory compliance documentation, and reliable supply chains across Europe. Contact OYSI's technical team for product specifications, safety data sheets, pricing information, and delivery options tailored to your specific requirements and applications.
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2-bromo-2-nitropropane-1,3-diol 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.