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| CAS No.: | 53581-53-6 |
|---|---|
| Name: | (+/-)-2,5-DIMETHOXY-4-BROMO-AMPHETAMINE HYDROBROMIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C11H16 Br N O2 . Br H |
| Molecular Weight: | 341.10 |
| 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 |
| Boiling Point: | 340.8°C at 760 mmHg |
| Flash Point: | 159.9°C |
| Hazard Symbols: |
 T+
|
| Risk Codes: | R26/27/28 |
| 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−. |
| PSA: | 44.48000 |
| LogP: | 4.01440 |
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- 53581-53-6
(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide
| Conditions | Yield |
|---|---|
| With triethylamine In chloroform Ambient temperature; | 63% |
- 53581-53-6
(+/-)-1-(2,5-dimethoxy-4-bromophenyl)propan-2-amine hydrobromide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 63 percent / Et3N / CHCl3 / Ambient temperature 2: 65 percent / BH3 / tetrahydrofuran / Heating View Scheme |
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Chemistry
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
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. |
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+
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
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.