Description

1-Propanone, 3-chloro-1-phenyl- (CAS No. 936-59-4) is a high-purity organic compound with the molecular formula C₉H₉ClO, commonly referred to as 3-Chloropropiophenone. This versatile chemical is widely utilized in pharmaceutical and organic synthesis applications due to its reactive chloro and ketone functional groups. It is supplied as a clear to pale-yellow liquid with a characteristic aromatic odor, ensuring optimal performance in research and industrial processes. Each batch undergoes rigorous quality control, including GC-MS and HPLC analysis, to guarantee ≥98% purity (by GC). Suitable for use as an intermediate in the synthesis of fine chemicals, APIs (Active Pharmaceutical Ingredients), and specialty materials. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 936-59-4
• Complexity: 128
• IUPAC Name: 3-chloro-1-phenyl-propan-1-one
• InChI: InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
• InChI Key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
• Exact Mass: 168.0341926
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.62
• SMILES: C1=CC=C(C=C1)C(=O)CCCl
• Topological: 17.1
• Monoisotopic Mass: 168.0341926
• Synonyms: 3-Chloropropiophenone, 936-59-4, 1-Propanone, 3-chloro-1-phenyl-, Propiophenone, 3-chloro-, 2-Chloroethyl phenyl ketone, omega-Chloropropiophenone, NSC 37238, beta-Chloroethyl phenyl ketone, NSC 227202, EINECS 213-317-6, DTXSID5061324, DTXCID7048877, 3-chloro-1-phenylpropan-1-one, 3-Chloro-1-phenyl-1-propanone, beta-Chloropropiophenone, 3-Chloropropanophenone, 3-Chloro-1-Phenyl-Propan-1-One, .beta.-Chloropropiophenone, .omega.-Chloropropiophenone, WBZ9Q23H2T, .beta.-Chloroethyl phenyl ketone, 1-propanone,3-chloropropiophenone, MFCD00000990, NSC-37238, NSC-227202, ss-chloropropiophenone, 3- chloropropiophenone, 3-chloro-propiophenone, 2-benzoylethyl chloride, UNII-WBZ9Q23H2T, 3-Chloropropiophenone, 98%, beta-chloroethyl-phenyl ketone, SCHEMBL116339, 1-Phenyl-3-chloro-1-propanone, KTJRGPZVSKWRTJ-UHFFFAOYSA-, CHEBI:232113, NSC37238, STR00737, AC-258, NSC227202, SBB063710, STL490264, 3-Chloropropiophenone, technical grade, AKOS000321268, FC37510, PD055585, SY004650, DB-057418, HY-107857, CS-0030740, NS00039580, ST50827030, EN300-66662, F0001-2252, Z1065610596, ß-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone, InChI=1/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

Application

3-Chloro-1-phenylpropan-1-one is a key intermediate in the synthesis of pharmaceutical compounds, particularly in the production of antidepressants and CNS-active agents. Its reactive chloro group allows for further functionalization, making it valuable in organic synthesis and medicinal chemistry research. This compound is also employed in the development of specialty chemicals and agrochemicals due to its versatile reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): 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 (41.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+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 (33.3%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (41.7%)

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