1642-81-5

Basic information

• Product Name: 4-(Chloromethyl)benzoic acid
• Synonyms: Benzoic acid, 4-(chloromethyl)-;4-(ChloroMethyl)benzoic acid 95%;4-(ChloroMethyl)benzoic Acid, 98.0%(GC&T;4 - chlorine Methyl benzoic acid;-Chloro-p-toluicacid;P-(CHLOROMETHYL)BENZOIC ACID;RARECHEM AL BO 0358;ALPHA-CHLORO-O-TOLUNITRILE
• CAS NO: 1642-81-5
• Molecular Formula: C₈H₇ClO₂
• Molecular Weight: 170.59
• EINECS: 216-697-1
• Product Categories: Piperidines;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 1642-81-5.mol
• Article Data: 18

Chemical Properties

• Melting Point: 201-202 °C(lit.)
• Boiling Point: 317.7 °C at 760 mmHg
• Flash Point: 145.9 °C
• Appearance: White to slightly yellow/Crystalline Powder
• Density: 1.315 g/cm³
• Vapor Pressure: 0.000159mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 4.11±0.10(Predicted)
• Sensitive: Moisture Sensitive
• BRN: 1907970
• CAS DataBase Reference: 4-(Chloromethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Chloromethyl)benzoic acid(1642-81-5)
• EPA Substance Registry System: 4-(Chloromethyl)benzoic acid(1642-81-5)

Safety Data

• Hazard Codes: C
• Statements: 34-42/43-36
• Safety Statements: 26-36/37/39-45-22-27-37/37/39
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• F: 19
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 1642-81-5(Hazardous Substances Data)

Usage

Description

4-(Chloromethyl)benzoic acid is a white to slightly yellow crystalline powder that serves as a key intermediate in the synthesis of various organic compounds, particularly dihydroxy stilbene derivatives.

Uses

Used in Pharmaceutical Industry:
4-(Chloromethyl)benzoic acid is used as a synthetic intermediate for the production of dihydroxy stilbene derivatives, which are known for their potential applications in the development of pharmaceuticals targeting various health conditions.
Used in Chemical Synthesis:
4-(Chloromethyl)benzoic acid is used as a building block in the synthesis of complex organic molecules, particularly in the creation of dihydroxy stilbene derivatives, which can be further utilized in various chemical and pharmaceutical applications.

InChI:InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)/p-1

Upstream product

• 876-08-4 p-(chloromethyl)benzoyl chloride 
• 84545-14-2 tert-butyl 4-(chloromethyl)benzamide 
• 874-60-2 4-methyl-benzoyl chloride 
• 104-82-5 4-Methylbenzyl chloride 
• 99-94-5 p-Toluic acid 
• 17201-43-3 4-cyanobenzyl bromide 
• 874-86-2 4-cyanobenzyl chloride 
• 76-05-1 trifluoroacetic acid 
• 7647-01-0 hydrogenchloride 
• 619-66-9 4-Carboxybenzaldehyde 
• 104-85-8 para-methylbenzonitrile 
• 108-88-3 toluene 
• 1592-20-7 4-Vinylbenzyl chloride 
• 3006-96-0 3-hydroxymethyl-benzoic acid 

Downstream Products

• 1201-90-7 ethyl 4-chloromethylbenzoate 
• 876-08-4 p-(chloromethyl)benzoyl chloride 
• 3006-96-0 3-hydroxymethyl-benzoic acid 
• 135654-21-6 4-carboxybenzylthioacetic acid 
• 62642-59-5 4-diethylaminomethyl-benzoic acid 
• 34040-64-7 p-methyloxycarbonylbenzyl chloride 
• 62642-62-0 4-(morpholinomethyl)benzoic acid 
• 108179-81-3 (R,S)-4-(3-methyl-2-oxa-4-pentenyl)benzoic acid 
• 108179-79-9 (R)-4-(3-butyl-2-oxa-4-pentenyl)benzoic acid 
• 88382-51-8 4-(4chloro-phenylsulfanylmethyl)-benzoic acid 
• 110046-23-6 4-<(4'-Methoxyphenylthio)methyl>benzoic acid 
• 75472-97-8 4-(ethoxythiocarbonylthiomethyl)benzoic acid 
• 88382-49-4 4-<(Phenylthio)methyl>benzoic acid 
• 88382-50-7 4-p-Tolylsulfanylmethyl-benzoic acid 

Relevant articles and documents

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Preparation method of 4-formylbenzoic acid

The invention provides a preparation method of 4-formylbenzoic acid, and the method comprises the following steps: by using 4-methylbenzoyl chloride as a raw material, performing chlorinating to obtain 4-chloromethylbenzoyl chloride, performing hydrolyzing to obtain 4-chloromethyl benzoic acid, and reacting with urotropine to obtain 4-formylbenzoic acid. The method provided by the invention is simple in process, does not need special equipment and is relatively low in cost; moreover, the method provided by the invention is relatively high in product yield and purity, and large-scale industrialproduction is easy to realize. The result of the embodiment shows that the yield of each step of the preparation method of the 4-formylbenzoic acid provided by the invention is greater than or equalto 90%, and the purity of the finally obtained 4-formylbenzoic acid is greater than or equal to 99.7%.

A General Catalytic Method for Highly Cost- and Atom-Efficient Nucleophilic Substitutions

A general formamide-catalyzed protocol for the efficient transformation of alcohols into alkyl chlorides, which is promoted by substoichiometric amounts (down to 34 mol %) of inexpensive trichlorotriazine (TCT), is introduced. This is the first example of a TCT-mediated dihydroxychlorination of an OH-containing substrate (e.g., alcohols and carboxylic acids) in which all three chlorine atoms of TCT are transferred to the starting material. The consequently enhanced atom economy facilitates a significantly improved waste balance (E-factors down to 4), cost efficiency, and scalability (>50 g). Furthermore, the current procedure is distinguished by high levels of functional-group compatibility and stereoselectivity, as only weakly acidic cyanuric acid is released as exclusive byproduct. Finally, a one-pot protocol for the preparation of amines, azides, ethers, and sulfides enabled the synthesis of the drug rivastigmine with twofold SN2 inversion, which demonstrates the high practical value of the presented method.