4-Bromobenzylamine hydrochloride

The Benzenemethanamine,4-bromo-, hydrochloride (1:1), with the CAS registry number 26177-44-6, is also known as 1-(4-Bromophenyl)methanamine hydrochloride (1:1). It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Bromine Compounds; Amine Salts; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 247-503-3. This chemical's molecular formula is C₇H₉BrClN and molecular weight is 222.51. What's more, its IUPAC name is called (4-Bromophenyl)methanamine hydrochloride. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Benzenemethanamine,4-bromo-, hydrochloride (1:1) are: (1)ACD/LogP: 1.861; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.76; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 104.3 °C; (14)Enthalpy of Vaporization: 48.61 kJ/mol; (15)Boiling Point: 248.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0236 mmHg at 25 °C.

Uses of Benzenemethanamine,4-bromo-, hydrochloride (1:1): it is used to produce other chemicals. For example, it can react with 2,5-dimethoxy-tetrahydro-furan to get 1-(4-Brombenzyl)-pyrrol. This reaction needs reagent DMAP and solvents pyridine, acetic acid, H₂O at temperature of 70 °C. The reaction time is 50 hours. The yield is 85 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)CN.Cl
(2) InChI: InChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
(3) InChIKey: BVYUYDBWQMSOKM-UHFFFAOYSA-N