Description

p-Anisoyl chloride (CAS No. 100-07-2), also known as 4-methoxybenzoyl chloride, is a highly reactive organic compound with the molecular formula C₈H₇ClO₂. This aromatic acyl chloride is a clear to pale yellow liquid with a pungent odor, widely used as a key intermediate in organic synthesis and pharmaceutical manufacturing. It is particularly valued for its role in introducing the p-methoxybenzoyl (anisoyl) moiety into target molecules, enabling the synthesis of esters, amides, and other derivatives. Suitable for laboratory and industrial applications, our high-purity p-Anisoyl chloride is rigorously tested for consistency, ensuring optimal performance in coupling reactions and other chemical transformations. Store under inert conditions to maintain stability and reactivity.

Properties

• CAS Number: 100-07-2
• Complexity: 139
• IUPAC Name: 4-methoxybenzoyl chloride
• InChI: InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
• InChI Key: MXMOTZIXVICDSD-UHFFFAOYSA-N
• Exact Mass: 170.0134572
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.59
• SMILES: COC1=CC=C(C=C1)C(=O)Cl
• Topological: 26.3
• Monoisotopic Mass: 170.0134572
• Physical Description: 4-methoxybenzoyl chloride appears as an amber-colored crystalline solid. Melting point 72 °F. Corrosive to metals and skin. Vapors may cause serious burns to the eyes.
• Color/Form: Clear crystals or amber liquid
• Boiling Point: 504 °F at 760 mmHg
• Melting Point: 72 °F
• Solubility: Soluble in ether and acetone. Very soluble in benzene. Slightly soluble in carbon tetrachloride.
• Density: 1.26 at 68 °F – Denser than water; will sink
• Vapor Pressure: 0.01 [mmHg]
• Henry’s Law Constant: Henry’s Law constant = 7.8X10-6 atm-cu m/mol at 25 °C
• Stability/Shelf Life: Slow decomposition at room temperature.
• Refractive Index: Index of refraction = 1.580 at 20 °C
• Synonyms: 4-Methoxybenzoyl chloride, 100-07-2, P-ANISOYL CHLORIDE, Benzoyl chloride, 4-methoxy-, p-Methoxybenzoyl chloride, Anisoyl chloride, 4-Anisoyl chloride, 4-Methoxybenzoic acid chloride, Benzoyl chloride, p-methoxy-, p-Methoxybenzoic acid chloride, para-anisoyl chloride, NSC 86125, UN1729, HSDB 447, TV6DMQ9451, 4methoxybenzoyl chloride, Benzoic acid, 4-methoxy-, chloride, EINECS 202-816-4, NSC-86125, DTXSID9059204, P-ANISOYL CHLORIDE [MI], MXMOTZIXVICDSD-UHFFFAOYSA-, UN-1729, 4Anisoyl chloride, 4-METHOXYBENZOYL CHLORIDE(O’Neil, M.J. (ed.). The Merck Index-An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 114), 4-METHOXYBENZOYL CHLORIDE[O’Neil, M.J. (ed.). The Merck Index-An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 114], ANISOYL CHLORIDE(Lewis, R.J. Sr.; Hawley’s Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 77), ANISOYL CHLORIDE[Lewis, R.J. Sr.; Hawley’s Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 77], P-ANISYL-CHLORIDE(Lewis, R.J. Sax’s Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 242), P-ANISYL-CHLORIDE[Lewis, R.J. Sax’s Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 242], pMethoxybenzoyl chloride, Benzoyl chloride, pmethoxy, Benzoyl chloride, 4methoxy, p-Anisoyl chloride (8CI), pMethoxybenzoic acid chloride, 4Methoxybenzoic acid chloride, DTXCID5032444, Benzoic acid, 4methoxy, chloride, inchi=1/c8h7clo2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5h,1h3, 4-Methoxybenzoylchloride, 4-methoxy-benzoyl chloride, MFCD00000687, para-methoxybenzoyl chloride, p-Anisoyl chloride; p-Methoxybenzoyl chloride, UNII-TV6DMQ9451, p-anisoylchloride, anisic acid chloride, rho-anisoyl chloride, p-anisic acid chloride, p-methoxybenzoylchloride, 4-methoxy benzoylchloride, 4-Methoxybenzoic chloride, 4-methoxylbenzoyl chloride, p-methoxy benzoyl chloride, 4 -methoxybenzoyl chloride, 4-methoxy benzoyl chloride, WLN: GVR BO1, 4-(methoxy)benzoyl chloride, SCHEMBL22288, 4-Methoxybenzoyl chloride, 99%, BCP29202, NSC86125, 4-methoxy-1-benzenecarbonyl chloride, SBB040620, STL141094, AKOS000268745, UN 1729, AS-39889, Anisoyl chloride [UN1729] [Corrosive], NS00022939, ST50214047, A16143, Q4117661, p-Anisoyl Chloride;p-Methoxybenzoyl chloride;4-Anisoyl chloride;Benzoyl chloride,4-methoxy;Benzoyl chloride, p-methoxy-

Application

p-Anisoyl chloride is extensively used as an acylating agent in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It serves as a critical intermediate in the preparation of active pharmaceutical ingredients (APIs) and fine chemicals, particularly in the formation of esters and amides. Researchers also employ it in the development of liquid crystals and advanced materials due to its ability to modify molecular structures efficiently. Additionally, it finds application in peptide synthesis and as a reagent in Friedel-Crafts acylation reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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