Product Name

  • Name

    (+/-)-2,5-DIMETHOXY-4-BROMO-AMPHETAMINE HYDROBROMIDE

  • EINECS
  • CAS No. 53581-53-6
  • Density
  • Solubility
  • Melting Point
  • Formula C11H16 Br N O2 . Br H
  • Boiling Point 340.8°C at 760 mmHg
  • Molecular Weight 341.10
  • Flash Point 159.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intraperitoneal and intravenous routes. See also BROMIDES and various amphetamine entries. When heated to decomposition it emits very toxic fumes of Br−.
  • Risk Codes R26/27/28
  • Molecular Structure Molecular Structure of 53581-53-6 ((+/-)-2,5-DIMETHOXY-4-BROMO-AMPHETAMINE HYDROBROMIDE)
  • Hazard Symbols T+
  • Synonyms Benzeneethanamine,4-bromo-2,5-dimethoxy-a-methyl-, hydrobromide (9CI); Benzeneethanamine, 4-bromo-2,5-dimethoxy-a-methyl-, hydrobromide, (?à)-;dl-2,5-Dimethoxy-4-bromoamphetamine hydrobromide
  • PSA 44.48000
  • LogP 4.01440

Synthetic route

benzoyl chloride
98-88-4

benzoyl chloride

(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide
53581-53-6

(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide

N-benzoyl-1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane

N-benzoyl-1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane

Conditions
ConditionsYield
With triethylamine In chloroform Ambient temperature;63%
(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide
53581-53-6

(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide

Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-1-methyl-ethyl]-amine

Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-1-methyl-ethyl]-amine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 63 percent / Et3N / CHCl3 / Ambient temperature
2: 65 percent / BH3 / tetrahydrofuran / Heating
View Scheme

Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide Chemical Properties

Molecular Structure of Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide (CAS NO.53581-53-6):


IUPAC: 1-(4-Bromo-2,5-dimethoxy-phenyl)propan-2-amine hydrobromide
Molecular Formula:C11H17Br2NO2
Molecular Weight:355.07
Melting Poin:145-146oC
Flash Point:159.9oC
Boiling Point:340.8oC at 760 mmHg 
SMILES:Brc1cc(OC)c(cc1OC)CC(N)C.Br 
InChI:InChI=1/C11H16BrNO2.BrH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H 
InChIKey:KOUBEZAODVTFTG-UHFFFAOYAA 
Enthalpy of Vaporization:58.44 kJ/mol
Vapour Pressure:8.37E-05 mmHg at 25oC

Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide Toxicity Data With Reference

1.    

ipr-rat LD50:50 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 45 (1)(1978),49.
2.    

ivn-mus LD50:80 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 45 (1)(1978),49.
3.    

ivn-dog LD50:6400 µg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 45 (1)(1978),49.
4.    

orl-mky LD50:2 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 45 (1978),49.

Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide Safety Profile

Poison by ingestion, intraperitoneal and intravenous routes. See also BROMIDES and various amphetamine entries. When heated to decomposition it emits very toxic fumes of Br−.

Safty informations about Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide (CAS NO.53581-53-6):
Hazard Codes:T+Very
Risk Statements:26/27/28
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements:28-36/37-45
R28:Very toxic if swallowed.
R36/37:Irritating to eyes and respiratory system.
R45:May cause cancer.
RIDADR:UN 2811 6.1/PG 2
WGK Germany:3
RTECS:SH0300000
HazardClass:6.1(a)
PackingGroup:I

Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide Specification

 Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide with cas registry number of 53581-53-6 is also known as (+/-)-2,5-Dimethoxy-4-bromo-amphetamine hydrobromide ; [+/-]-Dob hydrobromide ; 4-Bromo-2,5-dimethoxy-alpha-methyl-,hydrobromide,dl-phenethylamin ; Dl-2,5-dimethoxy-4-bromoamphetaminehydrobromide ; Dl-4-bromo-2,5-dimethoxy-alpha-methylphenethylaminehydrobromide ; Dl-4-bromo-2,5-dimethoxyamphetaminehydrobromide ; Dob ; (+-)-2,5-Dimethoxy-4-bromoamphetamine*hydrobromid . It is a compound with the appearance of crystals. Dl-4-bromo-2,5-dimethoxyamphetamine hydrobromide is used as a useful organic synthesis intermediate. This compound should be stored in a tightly closed container when not in use and stored in a cool, dry place.

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