Description

3-Chloro-4-nitrophenol (CAS No. 491-11-2) is a high-purity chlorinated nitrophenol compound with the molecular formula C₆H₄ClNO₃. This fine chemical is widely utilized in organic synthesis, pharmaceutical intermediates, and agrochemical research due to its reactive phenolic and nitro functional groups. The compound appears as a yellow to light brown crystalline powder with a melting point of approximately 75-78°C. It is soluble in organic solvents such as ethanol, acetone, and dimethyl sulfoxide (DMSO) but exhibits limited solubility in water. Suitable for laboratory and industrial applications, our product is rigorously tested for purity (typically ≥97% by HPLC) and consistency, ensuring reliable performance in synthetic workflows. Store in a cool, dry place away from strong oxidizers and light to maintain stability.

Properties

• CAS Number: 491-11-2
• Complexity: 158
• IUPAC Name: 3-chloro-4-nitro-phenol
• InChI: InChI=1S/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
• InChI Key: DKTRZBWXGOPYIX-UHFFFAOYSA-N
• Exact Mass: 172.9879707
• Molecular Formula: C6H4ClNO3
• Molecular Weight: 173.55
• SMILES: C1=CC(=C(C=C1O)Cl)[N+](=O)[O-]
• Topological: 66.1
• Monoisotopic Mass: 172.9879707
• Synonyms: 3-CHLORO-4-NITROPHENOL, Phenol, 3-chloro-4-nitro-, BRN 1950821, EINECS 207-730-0, DTXSID3075416, DTXCID1040665, 207-730-0, 4-06-00-01357 (beilstein handbook reference), dktrzbwxgopyix-uhfffaoysa-n, 491-11-2, 2-Chloro-4-hydroxynitrobenzene, 4-nitro-3-chlorophenol, MFCD00466090, 3-Chlor-4-nitrophenol, 3-Chloro 4-nitrophenol, VFG7H7L4GQ, SCHEMBL1551981, SCHEMBL10521677, BCP30239, BBL104262, SBB088799, STL388963, AKOS000299823, CS-W008663, MB01255, AC-27959, AS-19811, FC140090, SY109271, DB-023319, NS00031855, EN300-56891, AF-936/31260047, Z859818112

Application

3-Chloro-4-nitrophenol serves as a versatile intermediate in the synthesis of dyes, pigments, and pharmaceuticals. It is employed in the preparation of herbicides and fungicides due to its bioactive properties. Researchers also utilize this compound in coupling reactions and as a precursor for more complex nitroaromatic derivatives.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): 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 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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