Description

Benzene, 1-chloro-4-ethynyl- (CAS No. 873-73-4) is a high-purity organic compound with the molecular formula C₈H₅Cl. This versatile chemical intermediate features a chlorophenyl group bonded to an ethynyl moiety, making it a valuable building block for synthetic organic chemistry and pharmaceutical research. Our product is rigorously tested to ensure ≥98% purity, with comprehensive analytical data (GC/MS, NMR, HPLC) available upon request. Supplied in amber glass bottles under inert atmosphere to ensure stability, this compound is ideal for use in Sonogashira coupling reactions, click chemistry, and the synthesis of advanced materials. Suitable for research laboratories, pharmaceutical development, and specialty chemical manufacturing.

Properties

• CAS Number: 873-73-4
• Complexity: 123
• IUPAC Name: 1-chloro-4-ethynyl-benzene
• InChI: InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
• InChI Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N
• Exact Mass: 136.0079779
• Molecular Formula: C8H5Cl
• Molecular Weight: 136.58
• SMILES: C#CC1=CC=C(C=C1)Cl
• Monoisotopic Mass: 136.0079779
• Synonyms: 1-Chloro-4-ethynylbenzene, 873-73-4, Benzene, 1-chloro-4-ethynyl-, (4-Chlorophenyl)acetylene, DTXSID90236275, DTXCID90158766, 625-347-0, 4-chlorophenylacetylene, 4′-Chlorophenyl acetylene, 1-chloro-4-ethynyl-benzene, p-chlorophenylacetylene, (p-Chlorophenyl)acetylene, MFCD00191917, p-Ethynylchlorobenzene, 4-chloro-ethynylbenzene, chloro-4-ethynylbenzene, p-chlorophenyl-acetylene, 4-chlorophenyl acetylene, 4-chlorophenyl-acetylene, para-chlorophenylacetylene, 1(4′-chlorophenyl)ethyne, 1-ethynyl-4-chlorobenzene, 4-chloro-1-ethynylbenzene, SCHEMBL166276, SCHEMBL206409, 1-Chloro-4-ethynylbenzene, 98%, SBB064532, AKOS005146063, CS-W018322, FC20359, PB21668, PS-5929, AC-19414, DB-012626, C2670, EN300-265890, InChI=1/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6, 1-Chloro-4-ethynyl-benzene;(4-Chlorophenyl)ethyne;p-Ethynylchlorobenzene

1-Chloro-4-ethynylbenzene serves as a key intermediate in palladium-catalyzed cross-coupling reactions for pharmaceutical synthesis. Its ethynyl group enables efficient construction of carbon-carbon bonds in conjugated systems, while the chloro substituent provides additional reactivity for further functionalization. Researchers utilize this compound in materials science for developing organic semiconductors and liquid crystals. The compound’s structural features make it valuable for creating molecular scaffolds in medicinal chemistry programs targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H228 (100%): Flammable solid [Danger Flammable solids]
• H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Sol. 1 (100%)
• Skin Irrit. 2 (89.1%)
• Eye Irrit. 2 (97.8%)
• STOT SE 3 (95.7%)

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.