3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
[CAS# 86499-96-9]

Identification

• Classification: API >> Circulatory system medication >> Antihypertensive drug
• Name: 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
• Synonyms: 3-Bromo-1,3,4,5-tetrahdro-2H-benzazepin-2-one; 3-Bromobenzocaprolactam
• Molecular Formula: C₁₀H₁₀BrNO
• Molecular Weight: 240.10
• CAS Registry Number: 86499-96-9
• EC Number: 617-868-7
• SMILES: C1CC2=CC=CC=C2NC(=O)C1Br

Properties

• Solubility: 154.6 mg/L (25 ºC water)
• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.590, Calc.^*
• Melting point: 140.96 ºC
• Boiling Point: 383.2±42.0 ºC (760 mmHg), Calc.^*, 378.82 ºC
• Flash Point: 185.5±27.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319-H335
• Precautionary Statements: P261-P280-P305+P351+P338

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	5	H303
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H302