Description

5-Chloro-2-iodobenzoic acid (CAS No. 13421-00-6) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄ClIO₂. This compound is a versatile aromatic building block extensively used in organic synthesis, pharmaceutical research, and material science applications. The presence of both chloro and iodo substituents on the benzoic acid scaffold offers unique reactivity for cross-coupling reactions, particularly in Suzuki-Miyaura and Ullmann-type couplings.

Our product is synthesized under strict quality control measures to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder. It is characterized by comprehensive analytical techniques including 1H/13C NMR, FT-IR, and mass spectrometry for structural verification. The compound shows excellent solubility in polar organic solvents such as DMF, DMSO, and methanol while being sparingly soluble in water.

Special storage considerations: Store in a tightly sealed container at 2-8°C, protected from light and moisture to maintain stability. Suitable for use in high-throughput screening, medicinal chemistry programs, and as a precursor for advanced materials.

Properties

• CAS Number: 13421-00-6
• Complexity: 163
• IUPAC Name: 5-chloro-2-iodo-benzoic acid
• InChI: InChI=1S/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChI Key: NRPQWTVTBCRPEL-UHFFFAOYSA-N
• Exact Mass: 281.89445
• Molecular Formula: C7H4ClIO2
• Molecular Weight: 282.46
• SMILES: C1=CC(=C(C=C1Cl)C(=O)O)I
• Topological: 37.3
• Monoisotopic Mass: 281.89445
• Synonyms: 5-Chloro-2-iodobenzoic acid, 13421-00-6, DTXSID60158596, DTXCID7081087, 675-670-6, nrpqwtvtbcrpel-uhfffaoysa-n, MFCD00079733, 2-Iodo-5-chlorobenzoic acid, 5-Chloro-2-iodo-benzoic acid, Benzoic acid, 5-chloro-2-iodo-, AE-641/30105033, SCHEMBL275101, 5-chloro-2- iodobenzoic acid, 5-chloro-2-iodo benzoic acid, CK1078, SBB064624, AKOS000109279, CCG-234063, NCGC00338301-01, DS-12445, SY025681, DB-023725, EN300-39536, AB01330728-02, Z239685226

Application

5-Chloro-2-iodobenzoic acid serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in developing non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. The iodo substituent enables efficient palladium-catalyzed cross-coupling reactions for constructing biaryl systems in drug discovery. Researchers utilize this compound as a versatile scaffold for developing liquid crystal materials and organic electronic components due to its halogen-rich aromatic structure.

Safety and Hazards

GHS Hazard Statements

• H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Dam. 1 (33.3%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

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