Description

Isopropyl Benzenesulfonate (CAS No. 6214-18-2) is a high-purity organic sulfonate ester with the molecular formula C₉H₁₂O₃S. This versatile chemical compound is widely utilized in organic synthesis, pharmaceutical research, and specialty chemical manufacturing. Its benzenesulfonate moiety and isopropyl ester group make it a valuable intermediate for nucleophilic substitution reactions, esterification processes, and as a precursor in the development of fine chemicals.

Our product is rigorously tested to ensure exceptional purity (>98%) and consistency, making it ideal for laboratory research, industrial applications, and formulation development. It is supplied in secure, chemically resistant packaging with detailed technical specifications, including NMR and HPLC data, to meet the stringent requirements of researchers and scientists.

Key Features:
• High chemical purity (>98%)
• Suitable for nucleophilic substitution reactions
• Used in pharmaceutical and agrochemical synthesis
• Compliant with industry-standard quality controls

Properties

• CAS Number: 6214-18-2
• Complexity: 232
• IUPAC Name: isopropyl benzenesulfonate
• InChI: InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3
• InChI Key: YQZZXXKFKTWDPY-UHFFFAOYSA-N
• Exact Mass: 200.05071541
• Molecular Formula: C9H12O3S
• Molecular Weight: 200.26
• SMILES: CC(C)OS(=O)(=O)C1=CC=CC=C1
• Topological: 51.8
• Monoisotopic Mass: 200.05071541
• Synonyms: ISOPROPYL BENZENESULFONATE, Benzenesulfonic acid, 1-methylethyl ester, ISOPROPYL BENZENE SULFONATE, ff97sl9332, 6214-18-2, propan-2-yl benzenesulfonate, IsopropylBenzenesulfonate, Benzenesulfonic Acid Isopropyl Ester, MFCD04038771, Isopropyl Besylate;, Benzenesulfonic Acid Isopropyl Ester; Benzenesulfonic Acid 1-Methylethyl Ester;, Benzenesulfonic Acid 1-Methylethyl Ester, SCHEMBL780154, SCHEMBL11194588, SCHEMBL27414033, YQZZXXKFKTWDPY-UHFFFAOYSA-N, DTXSID901311605, AKOS025287359, DS-9538, FI24696, HY-W043437, SY103735, DB-243613, CS-0036440, D72600, Benzenesulfonic acid isopropyl ester;Benzenesulfonic acid 1-methylethyl ester;Isopropyl besylate

Isopropyl Benzenesulfonate serves as a key intermediate in organic synthesis, particularly in nucleophilic substitution reactions where its sulfonate group acts as a leaving group. Researchers employ it in the development of pharmaceuticals, agrochemicals, and specialty esters. It is also utilized as a precursor in polymer chemistry and as a reagent in fine chemical manufacturing. Proper handling under inert conditions is recommended to ensure stability and reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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