1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride

C16H17ClN2O

CAS138451-65-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 pharmaceutical intermediate properties and significant toxicological considerations. This specialized organic compound belongs to the benzazepine family, characterized by its fused ring system containing both benzene and azepine structural elements. With a molecular formula of C16H17ClN2O and a molecular weight of 288.77 g/mol, this hydrochloride salt demonstrates enhanced stability and solubility compared to its free base form. The compound features an amino group at the 2-position and an ethanone substituent, making it structurally distinct from simpler aromatic compounds like benzene-1,4-diol yet sharing certain chemical reactivity patterns. The substance presents significant safety considerations requiring careful handling protocols. Classified under multiple hazard categories including Acute Toxicity Category 4, Eye Damage Category 1, and Skin Sensitization Category 1, it demands appropriate personal protective equipment and engineering controls. The GHS pictograms GHS07, GHS08, GHS05, and GHS09 indicate its potential for acute toxicity, serious health effects, corrosive properties, and environmental impact. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Primary industrial applications include pharmaceutical research and development, where it serves as a synthetic intermediate in drug discovery programs. The compound finds use in medicinal chemistry laboratories for structure-activity relationship studies and as a building block for more complex pharmaceutical molecules. Additionally, it functions as a reference standard in analytical chemistry applications. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, ensuring consistent availability for European research and manufacturing operations.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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

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 Name5-Acetyl-3-amino-10,11-dihydro-5H-dibenz[b,f]azepin-hydrochlorid
Marine PollutantNo

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 a synthetic organic compound with the molecular formula C16H17ClN2O and a molecular weight of 288.77 g/mol. This benzazepine derivative contains an amino group and exists as a hydrochloride salt. The compound is classified under CAS number 138451-65-7 and presents significant safety hazards including acute toxicity, eye damage potential, and skin sensitization properties.

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 is a solid organic compound with a molecular weight of 288.77 g/mol. As a hydrochloride salt, it typically exhibits enhanced water solubility compared to its free base form. The compound contains a benzazepine ring system with an ethanone substituent and an amino group, contributing to its chemical reactivity. Specific physical properties such as melting point, color, and exact solubility data should be verified through detailed analytical specifications.

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 serves as a chemical intermediate in pharmaceutical research and development. The benzazepine structure suggests potential applications in medicinal chemistry, particularly in the synthesis of compounds targeting neurological pathways. This substance is primarily utilized in laboratory settings for research purposes, chemical synthesis, and pharmaceutical development. Industrial applications are limited due to its specialized nature and significant safety classification requiring professional handling.

How to safely handle 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 requires strict safety protocols due to its Danger classification. Essential PPE includes chemical-resistant gloves, safety goggles with side shields, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound can cause eye damage and skin sensitization, so minimize exposure and wash hands thoroughly after handling. Ensure emergency eyewash stations and safety showers are readily accessible.

How to properly store 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 should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture, as hydrochloride salts can be hygroscopic. Store in a designated chemical storage area with appropriate secondary containment. Maintain temperatures below 25°C when possible and protect from direct sunlight. Ensure storage areas have appropriate spill control measures and restrict access to authorized personnel only.

What to do in case of contact with 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride?

Immediate action is crucial when exposed to 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride. For eye contact, flush immediately with copious amounts of water for at least 15 minutes and seek immediate medical attention due to eye damage potential. For skin contact, wash thoroughly with soap and water, remove contaminated clothing, and monitor for sensitization reactions. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention promptly. Always contact poison control or emergency services when in doubt.

How to properly dispose 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 must be disposed of through licensed hazardous waste management companies in accordance with local and EU regulations. The substance cannot be discharged into sewers or the environment due to its aquatic toxicity classification. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Maintain detailed waste disposal records and ensure compliance with the European Waste Catalogue (EWC) codes. Contact specialized chemical waste disposal services for proper treatment and destruction.

How to transport 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 classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transport requires appropriate UN-specification packaging with proper labeling including GHS pictograms (GHS05, GHS07, GHS08, GHS09) and Danger signal word. Vehicles must carry appropriate emergency response information and drivers need ADR certification. Ensure packages are secured against movement and damage during transit. Shipping documents must include proper shipping name, UN number, and emergency contact information.

Is 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride subject to specific regulations?

1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride is subject to EU CLP Regulation for classification, labeling, and packaging requirements. While not currently identified as an SVHC under REACH, it requires safety data sheet provision and may need REACH registration depending on quantities. The substance falls under transport regulations (ADR) as Class 9 dangerous goods. Users must comply with occupational health regulations due to its acute toxicity and STOT RE classifications. National chemical control laws may impose additional restrictions.

Where to buy 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride in Europe?

1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to qualified customers including research institutions, pharmaceutical companies, and licensed chemical users across Europe. Due to the substance's hazardous classification and specialized nature, purchases require appropriate documentation demonstrating legitimate use and proper handling capabilities. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory compliance documentation necessary for your specific application.

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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.

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Data Sources

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