| Identification | More | [Name]
(E)-1,4-Dibromobut-2-ene | [CAS]
821-06-7 | [Synonyms]
1,4-DIBROMO-2-PENTENE
(2E)-1,4-Dibromo-2-butene
(E)-1,4-Dibromo-2-butene
1,4-Dibromo-2-butene, E
1,4-trans-Dibromobutene-2
2-Butene, 1,4-dibromo-, trans-
4-dibromo-(e)-2-buten
4-dibromo-trans-2-buten
Dibromobutene
1,4-DIBROMO-2-BUTENE, 99%, PREDOMINANTLY TRANS
1,4-Dibromo-2-Butene,~97%
2-Butene, 1,4-dibromo-, (2E)-
1,4-Dibromo-1-butene
4-dibromo-trans-2-butene
1,4-dibromo-, trans-
(E)-1,4-Dibromobut-2-ene
trans-1,4-Dibromo-2-butene
1,4-Dibromo-(E)-2-butene
1,4-Dibromo-trans-2-butene | [EINECS(EC#)]
212-472-7 | [Molecular Formula]
C4H6Br2 | [MDL Number]
MFCD07783464 | [Molecular Weight]
213.9 | [MOL File]
821-06-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
48-51 °C(lit.)
| [Boiling point ]
205 °C(lit.)
| [density ]
1.9393 (estimate) | [refractive index ]
1.5361 (estimate) | [Fp ]
113°C | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystals or Crystalline Powder | [color ]
colorless to slightly brown
| [Water Solubility ]
slightly soluble | [BRN ]
1719696 | [Stability:]
Light Sensitive | [InChI]
1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ | [InChIKey]
RMXLHIUHKIVPAB-OWOJBTEDSA-N | [SMILES]
BrC\C=C\CBr | [CAS DataBase Reference]
821-06-7(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Butene, 1,4-dibromo-, (E)-(821-06-7) | [EPA Substance Registry System]
821-06-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H314 | [Precautionary statements ]
P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
T,C | [Risk Statements ]
R25:Toxic if swallowed.
R34:Causes burns.
R23/25:Toxic by inhalation and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2923 8/PG 2
| [WGK Germany ]
2
| [RTECS ]
EM4725000
| [F ]
8-19 | [Hazard Note ]
Toxic/Corrosive | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29033990 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Oral
Skin Corr. 1B |
| Hazard Information | Back Directory | [General Description]
Crystals or white crystalline solid. | [Reactivity Profile]
(E)-1,4-DIBROMO-2-BUTENE(821-06-7) is incompatible with strong oxidizers and strong bases. | [Air & Water Reactions]
This chemical may be sensitive to exposure to light and air. Insoluble in water. | [Fire Hazard]
This chemical is probably combustible. | [Chemical Properties]
white to light yellow crystal powde | [Uses]
(2E)-1,4-Dibromo-2-butene, is used as a reagent in the preparation of diaminoalkenes though copper-mediated diamination reaction. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 36, p. 3324, 1971 DOI: 10.1021/jo00821a012 | [Synthesis]
Example 1 (E)-1,4-dibromo-2-butene (A) Synthesis: 1,3-butadiene (60 mL, 0.70 mol) was added to a 500 mL round-bottomed flask and the flask was placed in a -78 °C cooling bath. Carbon tetrachloride (CCl4, 100 mL) pre-cooled to -20 °C was slowly added to the flask to ensure that the temperature of the reaction mixture was maintained below -20 °C. Subsequently, bromine was added dropwise over a period of 2 hours. The reaction mixture was stirred vigorously at room temperature for 14 hours. After completion of the reaction, most of the solvent was evaporated under reduced pressure. The crude product was purified by recrystallization from cold hexane to afford white crystalline 1,4-dibromo-2-butene (A) (62.4 g, 0.29 mmol) in 58% yield. Thin layer chromatography (TLC) showed an Rf value of 0.74 (unfolding agent ratio hexane:ethyl acetate = 4:1). Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 300.40 MHz, CDCl3) data were as follows: δ 3.89-4.02 (m, 4H), 5.90-6.05 (m, 2H) ppm. | [Purification Methods]
Crystallise the dibromide from ligroin and/or distil it in a vacuum. [Beilstein 1 IV 79.] | [References]
[1] Journal of the American Chemical Society, 2014, vol. 136, # 43, p. 15403 - 15413
[2] Patent: US2008/262271, 2008, A1. Location in patent: Page/Page column 6
[3] Patent: WO2006/38764, 2006, A1. Location in patent: Page/Page column 9-10
[4] Chemische Berichte, 1938, vol. 71, p. 1679
[5] Angewandte Chemie, 1938, vol. 51, p. 919 |
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