Description

(E)-1,4-Dibromo-2-butene (CAS No. 821-06-7) is a high-purity, halogenated organic compound with the molecular formula C₄H₆Br₂. This trans-configuration dibromoalkene is a versatile intermediate widely used in organic synthesis, pharmaceutical research, and material science applications. The compound features a reactive double bond and bromine substituents at the 1 and 4 positions, making it ideal for cross-coupling reactions, polymerization initiators, and as a precursor for advanced chemical derivatives. Our product is rigorously tested to ensure ≥99% purity (GC), with strict quality control to meet the demands of research and industrial applications. Available in various packaging options, including amber glass bottles and bulk quantities, to suit your laboratory or production needs.

Properties

• CAS Number: 821-06-7
• Complexity: 34.8
• IUPAC Name: (E)-1,4-dibromobut-2-ene
• InChI: InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
• InChI Key: RMXLHIUHKIVPAB-OWOJBTEDSA-N
• Exact Mass: 213.88158
• Molecular Formula: C4H6Br2
• Molecular Weight: 213.90
• SMILES: C(/C=C/CBr)Br
• Monoisotopic Mass: 211.88363
• Physical Description: Crystals or white crystalline solid.
• Boiling Point: 397 °F at 760 mmHg
• Melting Point: 128.1 °F
• Flash Point: greater than 235 °F
• Solubility: less than 1 mg/mL at 66 °F
• Synonyms: (E)-1,4-Dibromobut-2-ene, trans-1,4-Dibromo-2-Butene, (E)-1,4-Dibromo-2-butene, 2-Butene, 1,4-dibromo-, (2E)-, EINECS 212-472-7, BRN 1719696, DTXSID8024941, 2-Butene, 1,4-dibromo-, (E)-, DTXCID804941, EC 212-472-7, 4-01-00-00791 (Beilstein Handbook Reference), 1,4-trans-Dibromobutene-2, 1,4-dibromo-trans-2-butene, 1,4-DIBROMO-(E)-2-BUTENE, 212-472-7, 1,4-Dibromo-2-butene, 821-06-7, (2E)-1,4-dibromobut-2-ene, 2-BUTENE, 1,4-DIBROMO-, trans-1,4-Dibromobut-2-ene, 6974-12-5, 1,4-Dibromobut-2-ene, (2E)-1,4-Dibromo-2-butene, TL 80, NSC 23187, MFCD00000249, 30794-77-5, 1,4-DIBROMO-2-BUTYLENE, C4H6Br2, EINECS 230-219-9, BRN 1719694, 2-BUTENE, 1,4-DIBROMO-, trans-, 1,4-dibromo-2-buten, E-1,4-dibromobut-2-ene, 1,4-trans-dibromo-2-butene, trans 1,4-dibromobut-2-ene, SCHEMBL102759, (E)-1,4-dibromo-but-2-ene, CHEMBL1324439, BCP28223, Tox21_202728, SBB059946, STL280288, trans-1,4-Dibromo-2-butene, 99%, AKOS015833855, FD03352, FS-4554, NCGC00091773-01, NCGC00260276-01, CAS-821-06-7, LS-12982, DB-027256, CS-0017873, D2944, NS00003483, ST51046211, D72529, EN300-106192, EN300-304060, F16803, 2-01-00-00177 (Beilstein Handbook Reference), InChI=1/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1

(E)-1,4-Dibromo-2-butene is commonly employed as a key intermediate in Suzuki-Miyaura and Heck cross-coupling reactions for the synthesis of complex organic molecules. It serves as a precursor in the production of conjugated polymers and liquid crystals due to its rigid trans-configuration. Researchers also utilize this compound in the development of pharmaceuticals and agrochemicals, where its reactive bromine groups enable further functionalization.

Safety and Hazards

GHS Hazard Statements

• H301 (99.4%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (69.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (69.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (70.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H330 (68.8%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H350 (68.8%): May cause cancer [Danger Carcinogenicity]
• H411 (68.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (99.4%)
• Acute Tox. 3 (69.5%)
• Skin Corr. 1B (100%)
• Skin Sens. 1 (69.5%)
• Eye Dam. 1 (70.8%)
• Acute Tox. 1 (68.8%)
• Carc. 1B (68.8%)
• Aquatic Chronic 2 (68.8%)

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