2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride

C17H20ClNO2

CAS55845-90-4
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
55845-90-4
EC Number
401-840-4
UN Number
3077
Index Number
606-040-00-0
PubChem CID
62319

Physical-chemical properties

Molecular Formula
C17H20ClNO2
Molar Mass
305.80 g/mol
IUPAC Name
2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C17H19NO2.ClH/c1-2-18(12-14-7-4-3-5-8-14)13-17(20)15-9-6-10-16(19)11-15;/h3-11,19H,2,12-13H2,1H3;1H
InChI Key
SKILLULCQGKLNZ-UHFFFAOYSA-N

Overview

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone hydrochloride (CAS 55845-90-4) is an organic amino ketone compound with hydroxyphenyl functionality and tertiary amine characteristics. This synthetic organic compound represents a specialized chemical intermediate featuring a complex molecular structure that combines aromatic, amino, and ketone functionalities. With a molecular formula of C17H20ClNO2 and molecular weight of 305.8 g/mol, this hydrochloride salt demonstrates enhanced stability and solubility characteristics compared to its free base form. The compound's structure incorporates a hydroxyphenyl group, which provides reactive sites for further chemical modifications, alongside a benzylethylamino substituent that contributes to its unique chemical properties. The substance is classified under European regulations with EC number 401-840-4 and carries significant safety considerations. It is classified as Eye Damage Category 1 and Aquatic Chronic Category 2, requiring careful handling procedures and appropriate personal protective equipment. The GHS05 and GHS09 pictograms indicate serious eye damage potential and environmental hazards, respectively, with "Danger" as the signal word. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. In industrial applications, this compound serves primarily as a chemical intermediate in pharmaceutical synthesis and specialty chemical manufacturing. Its unique structural features make it valuable for developing complex organic molecules, particularly in medicinal chemistry applications. The compound may also find utility in advanced materials research where specific amino-ketone functionalities are required. Unlike simpler compounds such as 2-(phosphonomethylamino)acetic acid, this molecule offers more sophisticated synthetic possibilities due to its aromatic systems and multiple functional groups. OYSI maintains availability of this specialized chemical intermediate for qualified industrial customers requiring high-purity research and development materials.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H318

Causes serious eye damage.

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

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:

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 Name(N-Benzyl-N-ethyl)amino-3'-hydroxyacetophenon-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is an organic chemical compound with the molecular formula C17H20ClNO2 and CAS number 55845-90-4. This substance has a molecular weight of 305.8 g/mol and belongs to the class of substituted phenyl ethanones. It is classified as hazardous with eye damaging properties and chronic aquatic toxicity, requiring careful handling in industrial applications.

What are the physicochemical properties of 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is a solid compound at room temperature with a molecular weight of 305.8 g/mol. As a hydrochloride salt, it typically exhibits good water solubility compared to its free base form. The compound contains aromatic benzyl groups and a hydroxyphenyl moiety, contributing to its chemical stability and specific physical characteristics under standard conditions.

What is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride used for?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its structural features make it valuable for developing compounds with biological activity. The substance serves as a building block in organic synthesis processes and research applications where specific aromatic and amino functionalities are required for target molecule construction.

How to handle 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride safely?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride requires careful handling due to its Eye Dam. 1 classification. Always wear appropriate eye protection, chemical-resistant gloves, and protective clothing when handling this substance. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct contact with skin and eyes, and ensure emergency eyewash stations are readily accessible during use.

How to store 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride properly?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Store away from sources of ignition and direct sunlight. Ensure storage areas are equipped with appropriate spill containment measures and restrict access to authorized personnel only.

What to do in case of contact with 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

Immediate action is required upon contact with 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride due to its severe eye damage potential. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek immediate medical attention. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air. Remove contaminated clothing and wash before reuse. Always seek medical advice when exposure occurs.

How to dispose of 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride appropriately?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride must be disposed of according to local, national, and international environmental regulations. The substance's Aquatic Chronic 2 classification requires special consideration for environmental protection. Contact licensed waste disposal companies for proper treatment and disposal. Never dispose of this chemical through regular waste streams or pour down drains. Maintain disposal records as required by applicable regulations.

How to transport 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. This classification requires specific packaging, labeling, and documentation requirements for transportation. Packages must bear appropriate hazard labels and shipping names. Transport vehicles must comply with ADR regulations, and drivers require appropriate training certificates for handling Class 9 dangerous goods.

Is 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride subject to specific regulations?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is subject to standard REACH registration and CLP classification requirements in Europe. The substance is not currently listed as a SVHC (Substance of Very High Concern). It must be classified and labeled according to GHS/CLP regulations with Danger signal word and appropriate pictograms (GHS05, GHS09). Users must maintain safety data sheets and comply with downstream user obligations.

Where to buy 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride in Europe?

2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe. As a professional chemical supplier, OYSI ensures proper packaging, documentation, and regulatory compliance for all shipments. Contact OYSI directly for availability, specifications, and delivery options to your location.

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Data Sources

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