Description

1-(4-Chlorophenyl)propan-1-ol (CAS No. 13856-85-4) is a high-purity organic compound with the molecular formula C₉H₁₁ClO, widely utilized in pharmaceutical and chemical research. This aromatic alcohol features a chlorophenyl group attached to a propanol chain, making it a valuable intermediate in synthetic organic chemistry. Its IUPAC name, 1-(4-chlorophenyl)propan-1-ol, reflects its precise structural configuration. Available in various quantities, this compound is rigorously tested for purity and consistency, ensuring optimal performance in laboratory and industrial applications. Suitable for use in nucleophilic substitutions, esterifications, and as a chiral building block, it is an essential reagent for researchers and scientists.

Properties

• CAS Number: 13856-85-4
• Complexity: 108
• IUPAC Name: 1-(4-chlorophenyl)propan-1-ol
• InChI: InChI=1S/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3
• InChI Key: TXAWBKBMGZKBNN-UHFFFAOYSA-N
• Exact Mass: 170.0498427
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.63
• SMILES: CCC(C1=CC=C(C=C1)Cl)O
• Topological: 20.2
• Monoisotopic Mass: 170.0498427
• Synonyms: 1-(4-chlorophenyl)propan-1-ol, 13856-85-4, 4-Chloro-alpha-ethylbenzyl alcohol, 1-(4-chlorophenyl)-1-propanol, (S)-1-(4-CHLOROPHENYL)-1-PROPANOL, EINECS 237-591-1, (4-chlorophenyl)propanol, SCHEMBL868462, SCHEMBL7286544, CHEMBL2251579, SCHEMBL10609419, DTXSID70930148, TXAWBKBMGZKBNN-UHFFFAOYSA-N, 1-(4-Chlorophenyl)-propan-1-ol, NAA85685, 4-Chloro-.alpha.-ethylbenzyl alcohol, (R)-1-(4-chlorophenyl)propan-1-ol, AKOS000124771, AKOS022180872, SB83968, Benzenemethanol, 4-chloro-.alpha.-ethyl-, CS-0216727, NS00051442, EN300-56123, N12135, Z228586168

Application

1-(4-Chlorophenyl)propan-1-ol serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. It is commonly employed in the preparation of chiral compounds and as a precursor for biologically active molecules. Researchers utilize this compound in asymmetric synthesis and catalysis studies due to its reactive hydroxyl group and aromatic chlorophenyl moiety. Its stability and well-defined structure make it ideal for method development and scale-up processes in organic chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (97.5%): 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 (97.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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