Description

1-Bromo-2-methylpropane (CAS No. 78-77-3), also known as isobutyl bromide, is a highly versatile alkyl bromide with the molecular formula C₄H₉Br. This clear, colorless to pale yellow liquid is widely used in organic synthesis, pharmaceutical intermediates, and material science applications. With a boiling point of approximately 91-92°C and a density of 1.26 g/cm³, it serves as an excellent alkylating agent and precursor for Grignard reagents. Its reactive bromine moiety enables efficient nucleophilic substitution reactions, making it invaluable for constructing complex molecular frameworks. Packaged under inert gas to ensure stability, our high-purity grade (≥98%) is rigorously tested by GC and NMR to meet the stringent demands of research and industrial processes.

Properties

• CAS Number: 78-77-3
• Complexity: 17.6
• IUPAC Name: 1-bromo-2-methyl-propane
• InChI: InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
• InChI Key: HLVFKOKELQSXIQ-UHFFFAOYSA-N
• Exact Mass: 135.98876
• Molecular Formula: C4H9Br
• Molecular Weight: 137.02
• SMILES: CC(C)CBr
• Monoisotopic Mass: 135.98876
• Physical Description: Colorless liquid; Light yellow liquid;
• Vapor Pressure: 72.0 [mmHg]
• Synonyms: 1-Bromo-2-methylpropane, 78-77-3, ISOBUTYL BROMIDE, iso-Butyl bromide, Propane, 1-bromo-2-methyl-, i-Butyl bromide, CCRIS 349, NSC 8416, EINECS 201-141-2, UNII-5OEC0BW987, 5OEC0BW987, iso-C4H9Br, DTXSID1052539, AI3-18130, NSC-8416, ISOBUTYL BROMIDE [MI], DTXCID2031112, EC 201-141-2, UN 2342, 2Methylpropyl bromide, Propane, 1bromo2methyl, UN2342, hlvfkokelqsxiq-uhfffaoysa-n, inchi=1/c4h9br/c1-4(2)3-5/h4h,3h2,1-2h, 1-Bromo-2-methyl-propane, MFCD00000217, Bromoacetaldehydedimethylacetal, Bromoisobutane, 2-methylpropyl bromide, isobutylbromid, isobutylbromide, i-butylbromide, iso-butylbromide, isobutyl-bromide, i-BuBr, 1-Methyl-2-propyl Bromide; 2-Methylpropyl Bromide; Bromoisobutane; Isobutyl Bromide; NSC 8416; iso-Butyl Bromide, 2-methylbromopropane, 2-methylpropylbromide, 2-methyl bromopropane, 1-bromo-2methylpropane, 1-bromo-2-methylpropan, l-bromo-2-methylpropane, 3-bromo-2-methylpropane, 1 -bromo-2-methylpropane, 1-bromo 2-methyl propane, 1-bromo-2-methyl propane, SCHEMBL7399, SCHEMBL245561, SCHEMBL473764, CHEMBL346532, SCHEMBL1489743, SCHEMBL4730315, SCHEMBL27826832, SCHEMBL28138407, 1-Bromo-2-methylpropane, 99%, WLN: E1Y1&1, NSC8416, BCP21482, Tox21_303878, BBL036259, SBB059932, STL264117, AKOS000118762, PB48146, CAS-78-77-3, NCGC00357138-01, VS-13394, A9430, B0616, NS00006245, ST51046199, EN300-19287, P19652, Q15632844, F1908-0100

Application

1-Bromo-2-methylpropane is extensively employed as an alkylating agent in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It serves as a key intermediate in the preparation of Grignard reagents for carbon-carbon bond formation. Researchers also utilize it in polymer chemistry and as a precursor for quaternary ammonium compounds. Its volatility and reactivity make it suitable for phase-transfer catalysis and fine chemical manufacturing.

Safety and Hazards

GHS Hazard Statements

• H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Irrit. 2 (71.7%)
• Eye Irrit. 2 (69.7%)
• STOT SE 3 (70.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.