4-Bromobenzylamine hydrochloride
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4-Bromobenzylamine hydrochloride
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CAS No:
26177-44-6
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Formula:
C7H8BrN.ClH
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Chemical Name:
4-Bromobenzylamine hydrochloride
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Synonyms:
Benzenemethanamine,4-bromo-,hydrochloride (1:1);Benzylamine,p-bromo-,hydrochloride;Benzenemethanamine,4-bromo-,hydrochloride;4-Bromobenzylammonium chloride;p-Bromobenzylamine hydrochloride;4-Bromobenzylamine hydrochloride;4-Bromobenzylamine monohydrochloride;(4-Bromophenyl)methanamine hydrochloride;(4-Bromophenyl)methanaminium chloride
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CAS No:
4-Bromobenzylamine hydrochloride Basic Attributes
222.51
220.96100
3693458
247-503-3
DTXSID20180797
2921499090
Safety Information
NONH for all modes of transport
3
36/37/38-21/22
26-37/39-36/37/39-36
Xi,Xn
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromobenzylamine hydrochloride Use and Manufacturing
General procedure: In a glove box, a flame-dried GLC vial equipped with a magnetic stir bar is charged with[3a]+[BArF4]– (1.0 molpercent) and Me2PhSiH (2a) (2.1 or 5.0 equiv). The indicated nitrile is added eitherin the glove box (for solid starting materials) or by micro syringe outside the glove box, and theresulting reaction mixture is maintained at room temperature for the indicated time. The reaction isquenched by the addition of a mixture of cyclohexane and tert-butyl methyl ether (90:10) containing4percent Et3N (0.5 mL), and the resulting solution is filtered through a pad of Celite® coated by a smalllayer of silica gel with a solution of cyclohexane and tert-butyl methyl ether (90:10) containing 4percentEt3N (3–4 mL) as eluent. Solvents are removed under reduced pressure, and the residue isdissolved in Et2O (1 mL) followed by addition of HCl (2M in Et2O, 1.0 mL, 2.0 mmol, 10 equiv). Theresulting suspension is stirred for 1 h and filtered, affording the amines as hydrochloride salts aswhite to yellow solids.General procedure: To a nitrogen purged screw-caped vial containing 1a (1.0 g, 5.1 mmol, 1.0 equiv) in 6.0 mL of toluene were added TMDS (900 μL, 5.1 mmol, 1.0 equiv) or PMHS (610 μL, 10.2 mmol, 2.0 equiv) and Ti(Oi-Pr)General procedure: To a solution of ReIO
Computed Properties
Molecular Weight:222.51
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:220.96069
Monoisotopic Mass:220.96069
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:77
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4-Bromobenzylamine hydrochloride
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