Description

1-(Benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine (CAS No. 1245649-52-8) is a high-purity heterocyclic compound with the molecular formula C₁₃H₈ClN₃O₄S. This specialized chemical features a pyrrolo[2,3-b]pyridine core functionalized with a benzenesulfonyl group at the 1-position, a chloro substituent at the 4-position, and a nitro group at the 5-position. The compound is supplied as a solid with >95% purity (HPLC), ideal for pharmaceutical research, medicinal chemistry, and organic synthesis applications. Its unique structure makes it valuable as a building block for developing novel bioactive molecules, kinase inhibitors, or agrochemical intermediates. Proper handling requires PPE due to potential irritant properties. Stored under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 1245649-52-8
• Complexity: 526
• IUPAC Name: 1-(benzenesulfonyl)-4-chloro-5-nitro-pyrrolo[2,3-b]pyridine
• InChI: InChI=1S/C13H8ClN3O4S/c14-12-10-6-7-16(13(10)15-8-11(12)17(18)19)22(20,21)9-4-2-1-3-5-9/h1-8H
• InChI Key: VDNRYINHXTYMIT-UHFFFAOYSA-N
• Exact Mass: 336.9924046
• Molecular Formula: C13H8ClN3O4S
• Molecular Weight: 337.74
• SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)[N+](=O)[O-])Cl
• Topological: 106
• Monoisotopic Mass: 336.9924046
• Synonyms: 1245649-52-8, 1-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine, 1-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine, 852-360-0, 4-CHLORO-5-NITRO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE, 4-Chloro-5-nitro-1-(phenylsulfonyl)-7-azaindole, 1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-5-NITRO-1-(PHENYLSULFONYL)-, 1-(benzenesulfonyl)-4-chloro-5-nitropyrrolo[2,3-b]pyridine, MFCD18072770, SCHEMBL2273205, VDNRYINHXTYMIT-UHFFFAOYSA-N, 4-?Chloro-?5-?nitro-?1-?(phenylsulfonyl)?-?7-?azaindole, BCP29293, AKOS025396074, PB21252, AC-37303, AS-51243, DA-39601, SY061008, CS-0052839, EN300-386169, P12207, 1-benzenesulfonyl-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine, 4-chloro-5-nitro-1-(phenyl sulfonyl)-1H-pyrrolo[2,3-b]pyridine, 4-Chloro-5-nitro-1-(phenylsulfonyl)-7-azaindole;4-chloro-5-nitro-1-(phenyl sulfonyl)-1H-pyrrolo[2,3-b]pyridine

Application

This compound serves as a key intermediate in the synthesis of pharmacologically active pyrrolopyridine derivatives, particularly in kinase inhibitor development. Researchers utilize its reactive nitro and chloro groups for selective functionalization via nucleophilic aromatic substitution or cross-coupling reactions. The benzenesulfonyl moiety enhances solubility and may influence target binding in drug discovery projects. Suitable for structure-activity relationship (SAR) studies in oncology and inflammation research.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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