Description

4-Ethylbenzoyl chloride (CAS No. 16331-45-6) is a high-purity organic compound with the molecular formula C₉H₉ClO. This aromatic acyl chloride is a versatile reagent widely used in organic synthesis, particularly in the preparation of esters, amides, and other derivatives via nucleophilic acyl substitution reactions. The presence of the ethyl group at the para position enhances its reactivity and selectivity in various chemical transformations.

Our product is rigorously tested to ensure >98% purity (GC), with stringent quality control to minimize impurities such as free acids or hydrolyzed byproducts. It is supplied in moisture-resistant packaging under inert gas to maintain stability and prevent decomposition. Ideal for pharmaceutical intermediates, agrochemical synthesis, and advanced material research, this compound is a critical building block for researchers requiring reliable and consistent performance.

Key Specifications:
– Molecular Weight: 168.62 g/mol
– Boiling Point: ~230-232°C
– Density: 1.14 g/cm³
– Appearance: Clear to pale yellow liquid
– Storage: Store under nitrogen at 2-8°C

Properties

• CAS Number: 16331-45-6
• Complexity: 136
• IUPAC Name: 4-ethylbenzoyl chloride
• InChI: InChI=1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
• InChI Key: AVTLLLZVYYPGFX-UHFFFAOYSA-N
• Exact Mass: 168.0341926
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.62
• SMILES: CCC1=CC=C(C=C1)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 168.0341926
• Synonyms: 4-Ethylbenzoyl chloride, 16331-45-6, Benzoyl chloride, 4-ethyl-, EINECS 240-404-6, DTXSID80167564, DTXCID4090055, 240-404-6, avtlllzvyypgfx-uhfffaoysa-n, inchi=1/c9h9clo/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6h,2h2,1h, 4-ethylbenzoylchloride, p-ethylbenzoyl chloride, 4-ethylbenzene-1-carbonyl chloride, MFCD00000697, 4-ethyl benzoyl chloride, 4-EthYl-Benzoyl Chloride, 4-ethylbenzoic acid chloride, 4-ethyl benzoyl choride, SCHEMBL526436, 4-Ethylbenzoyl chloride, 97%, 4-ethyl-1-benzenecarbonyl chloride, SBB006540, AKOS004908205, AS-31045, FE166495, SY013745, NS00025327, ST51039910, F0001-0589

Application

4-Ethylbenzoyl chloride is primarily employed as an acylating agent in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It reacts with alcohols and amines to form esters and amides, respectively, which are key intermediates in drug development. The compound is also used in polymer chemistry to modify resin properties and in the production of photoactive materials. Its para-ethyl substitution offers steric and electronic advantages in directed ortho-metalation reactions.

Safety and Hazards

GHS Hazard Statements

• H301 (56.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H312 (56.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (95.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (56.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (56.1%)
• Acute Tox. 4 (56.1%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (95.9%)
• STOT SE 3 (56.1%)

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