Description

Phenylsulphonylacetonitrile (CAS No. 7605-28-9) is a high-purity organic compound with the molecular formula C₈H₇NO₂S and IUPAC name 2-(benzenesulfonyl)acetonitrile. This specialized chemical features a benzenesulfonyl group attached to an acetonitrile moiety, making it a valuable intermediate in synthetic organic chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder. Suitable for research and industrial applications, it is packaged under inert gas to ensure stability and longevity. Store in a cool, dry place away from light and moisture. Available in quantities ranging from 1g to 1kg with customizable bulk options.

Properties

• CAS Number: 7605-28-9
• Complexity: 274
• IUPAC Name: 2-(benzenesulfonyl)acetonitrile
• InChI: InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
• InChI Key: ZFCFFNGBCVAUDE-UHFFFAOYSA-N
• Exact Mass: 181.01974964
• Molecular Formula: C8H7NO2S
• Molecular Weight: 181.21
• SMILES: C1=CC=C(C=C1)S(=O)(=O)CC#N
• Topological: 66.3
• Monoisotopic Mass: 181.01974964
• Synonyms: Phenylsulphonylacetonitrile, Acetonitrile, (phenylsulfonyl)-, EINECS 231-515-0, AI3-16855, DTXSID40226949, NSC 51007, DTXCID20149440, 231-515-0, 7605-28-9, (Phenylsulfonyl)acetonitrile, Benzenesulfonylacetonitrile, 2-(Phenylsulfonyl)acetonitrile, PHENYLSULFONYLACETONITRILE, 2-(benzenesulfonyl)acetonitrile, benzenesulphonylacetonitrile, Benzenesulfonyl-acetonitrile, benzenesulphonyl acetonitrile, MFCD00007550, 2-(phenylsulfonyl)ethanenitrile, NSC51007, Cyanomethylsulfonylbenzene, Maybridge1_004583, phenylsulfonly acetonitrile, phenylsulfonyl acetonitrile, phenylsulfonyl-acetonitrile, SCHEMBL751, Phenylsulphonyl acetonitrile, 2-phenylsulfonyl-Acetonitrile, MLS001143941, SCHEMBL9511952, Acetonitrile, 2-phenylsulfonyl-, CHEMBL1901222, 2-(benzenesulfonyl)-acetonitrile, HMS554I07, ZFCFFNGBCVAUDE-UHFFFAOYSA-, Acetonitrile,2-(phenylsulfonyl)-, HMS2216K24, HMS3358C03, (Phenylsulfonyl)acetonitrile, 98%, NSC-51007, SBB040032, STK328404, AKOS000271283, PS-3123, NCGC00247628-01, FB168840, SMR000718483, SY048639, DB-022562, CS-0156059, NS00037752, P0799, ST45028630, EN300-42422, S10546, F3122-0050, Z104343452, InChI=1/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2

Application

Phenylsulphonylacetonitrile serves as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. It is particularly useful in nucleophilic substitution reactions and as a precursor for heterocyclic compounds. Researchers employ this compound in the development of sulfonyl-containing analogs for drug discovery. Its reactivity also makes it valuable in polymer chemistry and material science applications.

Safety and Hazards

GHS Hazard Statements

• H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (87%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (87%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (89.1%)
• Acute Tox. 4 (10.9%)
• Acute Tox. 3 (87%)
• Acute Tox. 4 (10.9%)
• Skin Irrit. 2 (13%)
• Eye Irrit. 2 (13%)
• Acute Tox. 3 (87%)
• Acute Tox. 4 (10.9%)
• STOT SE 3 (10.9%)

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