1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride
C16H17ClN2O
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Identification
- CAS Number
- 138451-65-7
- EC Number
- 410-490-1
- UN Number
- 3077
- Index Number
- 612-167-00-2
- PubChem CID
- 2876206
Physical-chemical properties
- Molecular Formula
- C16H17ClN2O
- Molar Mass
- 288.77 g/mol
- IUPAC Name
- 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C16H16N2O.ClH/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18;/h2-5,8-10H,6-7,17H2,1H3;1H
- InChI Key
- TYRYIFQMTMQOLQ-UHFFFAOYSA-N
Overview
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone hydrochloride (CAS 138451-65-7) is a benzazepine derivative compound with significant biological activity and specialized industrial applications. This organic compound, with molecular formula C16H17ClN2O and molecular weight 288.77 g/mol, belongs to the benzazepine class of heterocyclic compounds characterized by a fused benzene-azepine ring system. The presence of an amino group and acetyl functionality contributes to its distinct chemical properties and reactivity profile. As a hydrochloride salt, this compound exhibits enhanced stability and solubility characteristics compared to its free base form, making it more suitable for various technical applications. The compound presents several important safety considerations due to its classification under multiple hazard categories. It is classified as Acute Tox. 4, indicating moderate acute toxicity, and STOT RE 2, suggesting potential for specific target organ toxicity following repeated exposure. Additional hazard classifications include Eye Dam. 1 (serious eye damage), Skin Sens. 1 (skin sensitization), and Aquatic Chronic 2 (chronic aquatic toxicity). The danger signal word and associated GHS pictograms (GHS07, GHS08, GHS05, GHS09) reflect these multiple hazard properties, requiring careful handling protocols and appropriate personal protective equipment during use. Primary industrial applications include pharmaceutical intermediate synthesis, specialty chemical research, and advanced materials development. The compound's unique structural features make it valuable in medicinal chemistry research, particularly in the development of compounds with neurological activity. Related compounds in this chemical space, such as benzene-1,4-diol, share certain structural motifs and may find applications in similar synthetic pathways. OYSI provides this specialized benzazepine derivative to meet the demanding requirements of European chemical and pharmaceutical industries.
Safety & Classification
Acute Tox. 4 *; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2
GHS Pictograms
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
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
Skin Contact
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:
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 | 5-Acetyl-3-amino-10,11-dihydro-5H-dibenz[b,f]azepin-hydrochlorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride?
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride is an organic chemical compound with molecular formula C16H17ClN2O and molecular weight 288.77 g/mol. This substance belongs to the benzazepine chemical family and is classified under CAS number 138451-65-7. It presents significant safety hazards including acute toxicity, eye damage potential, skin sensitization properties, and specific target organ toxicity after repeated exposure.
What are the physicochemical properties of 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride?
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride has a molecular weight of 288.77 g/mol and contains chlorine, nitrogen, and oxygen atoms in its structure. As a hydrochloride salt, it typically presents enhanced water solubility compared to its free base form. The compound's exact physical appearance, melting point, and detailed solubility parameters require specific analytical data for precise characterization.
What is 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride used for?
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride is primarily used as a research chemical and pharmaceutical intermediate. Its benzazepine structure suggests potential applications in medicinal chemistry research, particularly in the development of compounds affecting the central nervous system. Due to its hazardous classification, this substance is restricted to professional use in controlled laboratory and industrial environments by qualified personnel.
How to handle 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride safely?
Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hood extraction to avoid inhalation exposure. Due to its Acute Tox. 4, Eye Dam. 1, and Skin Sens. 1 classifications, minimize direct contact and ensure immediate access to emergency eyewash stations and safety showers.
How to store 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride correctly?
Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in original labeled containers with appropriate secondary containment. Given its hazard classification, implement restricted access controls and maintain inventory records. Separate from oxidizing agents and other reactive chemicals to prevent dangerous reactions.
What to do in case of contact with 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride?
Immediate eye contact requires continuous water irrigation for at least 15 minutes and urgent medical attention due to its Eye Dam. 1 classification. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical care. Always consult the safety data sheet for complete emergency procedures.
How to dispose of 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride appropriately?
Disposal must comply with local, national, and European waste regulations as hazardous chemical waste. Contact licensed waste disposal companies specialized in handling toxic and environmentally hazardous substances. Never dispose through regular waste streams or drain systems due to its Aquatic Chronic 2 classification. Maintain proper documentation of disposal activities and ensure containers are properly labeled before collection by authorized waste handlers.
How to transport 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride?
Transportation follows ADR Class 9 (Miscellaneous dangerous goods) regulations with Packing Group III classification. Use appropriate UN-specification packaging with proper labeling including hazard pictograms and transport documentation. Ensure vehicles are equipped for hazardous material transport with trained drivers holding valid ADR certificates. Implement emergency response procedures during transit and maintain temperature-controlled conditions if required.
Is 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride subject to specific regulations?
Yes, this substance is regulated under European CLP Regulation requiring proper classification, labeling, and safety data sheets. REACH registration obligations may apply depending on import/manufacture quantities. While not currently listed as SVHC, its hazardous properties require compliance with occupational safety regulations and environmental protection measures. Industrial users must implement appropriate risk management measures and worker protection protocols.
Where to buy 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride in Europe?
OYSI is a specialized European distributor offering 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride to qualified industrial and research customers. As a professional chemical supplier, OYSI ensures regulatory compliance, proper documentation, and technical support. Contact OYSI directly for availability, specifications, and pricing information. Purchase is restricted to qualified end-users with appropriate handling capabilities and regulatory permits.
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1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;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.