3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride
C12H21ClN2O4S
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Identification
- CAS Number
- 114565-70-7
- EC Number
- 427-780-9
- UN Number
- 3077
- Index Number
- 616-157-00-9
- PubChem CID
- 91997351
Physical-chemical properties
- Molecular Formula
- C12H21ClN2O4S
- Molar Mass
- 324.82 g/mol
- IUPAC Name
- 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C12H20N2O4S.ClH/c1-9(2)18-7-3-6-14-19(16,17)10-4-5-12(15)11(13)8-10;/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3;1H
- InChI Key
- QPOMITXHTWVAIP-UHFFFAOYSA-N
Overview
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide hydrochloride (CAS 114565-70-7) is a specialized benzenesulfonamide derivative with amino and hydroxy functional groups offering versatile chemical reactivity. This organic compound, with molecular formula C12H21ClN2O4S and molecular weight 324.82 g/mol, represents an important class of substituted benzenesulfonamides widely utilized in industrial chemical processes. The hydrochloride salt form enhances solubility characteristics while maintaining the compound's inherent chemical stability. Its unique structure features multiple functional groups including an amino group, hydroxyl group, and sulfonamide moiety, making it particularly valuable for specialized synthetic applications. The compound is classified under EC number 427-780-9 and carries significant safety considerations due to its hazard profile. It presents acute toxicity concerns (Acute Tox. 4), serious eye damage potential (Eye Dam. 1), and environmental hazards affecting aquatic ecosystems both acutely and chronically. The GHS classification includes pictogramms GHS07, GHS05, and GHS09, with "Danger" as the signal word, requiring careful handling protocols and appropriate personal protective equipment during use. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where precise functional group positioning is critical. The compound shares chemical similarities with other specialized derivatives like N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide, though each offers distinct reactivity profiles for specific applications. Transportation falls under ADR Class 9 miscellaneous dangerous goods, requiring compliance with appropriate shipping regulations. OYSI maintains reliable supply chains for this specialized compound, supporting European industrial customers with consistent quality and regulatory compliance.
Safety & Classification
Acute Tox. 4 *; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 3-Amino-4-hydroxy-N-(3-isopropoxypropyl)benzensulfonamid-hydrochlorid, nicht ätzend |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is an organic chemical compound with the molecular formula C12H21ClN2O4S and CAS number 114565-70-7. This sulfonamide derivative has a molecular weight of 324.82 g/mol and contains amino, hydroxy, and propyloxypropyl functional groups attached to a benzenesulfonamide core structure. The compound is supplied as a hydrochloride salt form, which typically enhances its stability and solubility properties for various applications.
What are the physicochemical properties of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is a solid compound at room temperature with a molecular weight of 324.82 g/mol. As a hydrochloride salt, it typically exhibits good water solubility and enhanced stability compared to its free base form. The presence of multiple polar functional groups including amino, hydroxy, and sulfonamide groups contributes to its solubility in polar solvents. Specific physical properties such as melting point, appearance, and odor would require detailed analytical characterization.
What is 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride used for?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. The sulfonamide structure suggests potential applications in drug development, particularly as a building block for bioactive compounds. Its specific functional groups make it suitable for further chemical modifications in research and development processes. The compound may also serve as a reference standard or analytical reagent in quality control laboratories within the pharmaceutical industry.
How to handle 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride safely?
Safe handling of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride requires appropriate personal protective equipment due to its Acute Tox. 4 and Eye Dam. 1 classifications. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound poses serious eye damage risks, requiring immediate medical attention if contact occurs. Handle with care to prevent environmental release due to its aquatic toxicity classification.
How should 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride be stored?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride 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 incompatible materials such as strong oxidizers, acids, and bases. Ensure storage areas are equipped with appropriate spill containment measures due to the compound's aquatic toxicity. Maintain proper inventory records and restrict access to authorized personnel only to ensure safe handling.
What to do in case of contact with 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?
In case of eye contact with 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride, immediately flush with copious amounts of clean water for at least 15 minutes and seek immediate medical attention due to its Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek medical attention immediately. Keep the safety data sheet available for medical personnel and contact emergency services if severe symptoms develop.
How to dispose of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride properly?
Disposal of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride must be conducted according to local and national waste regulations. Due to its aquatic toxicity classification, prevent release to water systems and soil. Contact licensed hazardous waste disposal contractors for safe handling and treatment. The compound cannot be disposed of through normal municipal waste systems. Incineration at authorized facilities with appropriate emission controls may be suitable. Always consult with local environmental authorities and follow specific regional requirements for hazardous chemical waste management.
How to transport 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is classified as ADR Class 9 (miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure packages are properly labeled with hazard markings and transport documentation includes accurate chemical identification. Vehicles must carry appropriate emergency equipment and drivers should be trained in hazardous materials handling. Follow ADR regulations for loading, segregation, and route restrictions to ensure safe transportation throughout Europe.
Is 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride subject to specific regulations?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is subject to European REACH and CLP regulations for chemical registration and classification. The compound is not currently listed as a Substance of Very High Concern (SVHC). Its classification under CLP includes Acute Tox. 4, Eye Dam. 1, and aquatic toxicity categories, requiring appropriate labeling with GHS pictograms GHS05, GHS07, and GHS09. Suppliers must provide safety data sheets and ensure proper risk assessment. Additional pharmaceutical regulations may apply if used in drug development or manufacturing processes.
Where to buy 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride in Europe?
3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for pharmaceutical intermediates and fine chemicals across European markets. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous materials. Contact OYSI directly for availability, specifications, and pricing information. Their technical support team can assist with product selection, safety requirements, and logistics coordination to meet your specific application needs.
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3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride 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.