3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride

C12H21ClN2O4S

CAS114565-70-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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, hydroxyl, and isopropoxy functional groups offering unique chemical reactivity properties. This technical chemical compound belongs to the sulfonamide family and presents a complex molecular structure with multiple functional groups that contribute to its versatility in industrial applications. With a molecular formula of C12H21ClN2O4S and a molecular weight of 324.82 g/mol, this substance exhibits specific chemical properties that make it valuable for specialized manufacturing processes. The presence of both amino and hydroxyl groups on the benzene ring, combined with the propan-2-yloxypropyl chain attached to the sulfonamide nitrogen, creates a molecule with interesting solubility characteristics and potential for chemical modifications. The compound requires careful handling due to its classification under multiple hazard categories. It presents acute toxicity concerns (Acute Tox. 4), can cause serious eye damage (Eye Dam. 1), and poses significant environmental risks to aquatic life both acutely and chronically (Aquatic Acute 1, Aquatic Chronic 1). The danger signal word and associated pictogrammes GHS07, GHS05, and GHS09 emphasize the need for appropriate safety measures during storage, handling, and transportation. As a Class 9 ADR substance, special considerations apply for shipping and logistics. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where the unique combination of functional groups provides specific reactivity patterns. Unlike simpler sulfonamide compounds such as those related to copper methanesulfonic acid systems, this molecule offers enhanced selectivity in certain chemical processes. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H400

Very toxic to aquatic life.

H410

Very 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

Eye Contact

Harmful

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

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name3-Amino-4-hydroxy-N-(3-isopropoxypropyl)benzensulfonamid-hydrochlorid, nicht ätzend
Marine PollutantNo

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 CAS number 114565-70-7 and molecular formula C12H21ClN2O4S. This sulfonamide derivative has a molecular weight of 324.82 g/mol and contains amino, hydroxyl, and sulfonamide functional groups. The compound is classified as hazardous with acute toxicity, eye damage, and aquatic toxicity properties, requiring careful handling in industrial applications.

What are the physico-chemical properties of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

The compound has a molecular formula of C12H21ClN2O4S with a molecular weight of 324.82 g/mol. As a hydrochloride salt of a sulfonamide derivative, it likely exists as a crystalline solid at room temperature. The presence of amino, hydroxyl, and sulfonamide groups suggests good water solubility. Specific physical properties such as melting point, exact appearance, and solubility data would require analytical characterization for precise determination.

What is 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride used for?

This compound is primarily used in pharmaceutical research and chemical synthesis applications. Sulfonamide derivatives are commonly employed as intermediates in drug development, particularly for antimicrobial agents and enzyme inhibitors. The specific structural features, including the amino and hydroxyl substituents on the benzene ring, make it valuable for medicinal chemistry research. Industrial applications may include use as a chemical intermediate in pharmaceutical manufacturing processes under controlled conditions.

How to safely handle 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

Safe handling requires appropriate personal protective equipment due to its Acute Tox. 4 and Eye Dam. 1 classifications. Wear safety goggles or face shield, chemical-resistant gloves, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume extraction systems. Avoid dust formation and inhalation. Use non-sparking tools and equipment. Wash hands thoroughly after handling and ensure emergency eyewash stations are accessible in the work area.

How to properly store 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

The compound should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled with hazard information. Store separately from incompatible materials such as strong oxidizing agents. Maintain storage temperature as recommended by the supplier and ensure adequate spill containment measures. Regular container inspection for damage or deterioration is essential for safe storage practices.

What to do in case of contact with 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

In case of eye contact, immediately flush with plenty of water for at least 15 minutes and seek medical attention due to Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air and monitor for respiratory symptoms. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse. Always consult the safety data sheet for complete first aid procedures.

How to properly dispose of 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

Disposal must comply with local, regional, and national environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The compound should not be discharged to water systems or soil. Contact licensed waste disposal companies for proper treatment and disposal. Small quantities may require incineration at appropriate high-temperature facilities. Contaminated packaging should also be treated as hazardous waste. Always consult local environmental authorities for specific disposal requirements.

How to transport 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride?

The compound is classified as ADR Class 9 (miscellaneous dangerous substances), Packing Group III for transportation purposes. Use appropriate UN-specification packaging marked and labeled according to dangerous goods regulations. Transport documents must include proper shipping names, hazard classes, and emergency contact information. Vehicles must carry appropriate placards and emergency equipment. Drivers require dangerous goods training certification. Ensure compliance with international transport regulations (ADR/RID for road/rail transport).

Is 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride subject to specific regulations?

The compound is regulated under European REACH and CLP regulations requiring registration, classification, and labeling. It carries GHS07, GHS05, and GHS09 pictograms with 'Danger' signal word. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations, environmental discharge limits, and transport regulations. Chemical safety assessments may be required for industrial use, and downstream user obligations under REACH may apply.

Where to buy 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride in Europe?

OYSI is a reliable European distributor offering this specialized chemical compound for professional and industrial applications. As an established chemical supplier, OYSI ensures proper handling, documentation, and regulatory compliance for European customers. The company provides technical support and safety data sheets with each shipment. Contact OYSI directly for availability, packaging options, and delivery arrangements. Professional customers can benefit from OYSI's expertise in chemical distribution and regulatory compliance across European markets.

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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.

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Data Sources

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