Chloromethyl benzoate

Base Information

• Chemical Name: Chloromethyl benzoate
• CAS No.: 5335-05-7
• Molecular Formula: C8H7 Cl O2
• Molecular Weight: 170.595
• Hs Code.: 2916310090
• European Community (EC) Number: 226-254-4
• NSC Number: 2876
• UNII: 9K5D6QG3XN
• DSSTox Substance ID: DTXSID30967975
• Nikkaji Number: J217.895H
• Wikidata: Q82950642
• Mol file: 5335-05-7.mol

Synonyms:Chloromethyl benzoate;5335-05-7;Chloromethylbenzoate;Chloromethanol benzoate;MFCD00040116;9K5D6QG3XN;NSC-2876;BENZOIC ACID CHLOROMETHYL ESTER;C6H5COOCH2Cl;UNII-9K5D6QG3XN;SCHEMBL557186;BENZOYLOXYMETHYL CHLORIDE;(BENZOYLOXY)CHLOROMETHANE;DTXSID30967975;NSC2876;NSC 2876;EINECS 226-254-4;AKOS006272333;AB01791;CS-W004798;GS-3792;BENZOIC ACID, CHLOROMETHYL ESTER;METHANOL, 1-CHLORO-, 1-BENZOATE;SY037214;AI3-17422;FT-0635630;EN300-97187;A23386;A51028

Chemical Property of Chloromethyl benzoate

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Boiling Point: 261.2°Cat760mmHg
• Flash Point: 127.9°C
• PSA: 26.30000
• Density: 1.229g/cm³
• LogP: 2.03970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99.9% ^*data from raw suppliers

Chloromethylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCl

Technology Process of Chloromethyl benzoate

There total 20 articles about Chloromethyl benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

sodium benzoate (532-32-1) + chlorosulfuric acid chloromethyl ester (49715-04-0) → chloromethyl benzoate (5335-05-7)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate; In dichloromethane; water; for 3h;

Reference yield: 84.0%

benzoyloxymethylthiobenzene (100621-86-1) → chloromethyl benzoate (5335-05-7)

Guidance literature:

With styrene; sulfuryl dichloride; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzoyl chloride (98-88-4) → chloromethyl benzoate (5335-05-7)

Guidance literature:

With zinc(II) chloride; at 45 - 50 ℃;

DOI:10.1134/S1070428013020048

upstream raw materials:

(E)-3-Ureido-but-2-enoic acid ethyl ester

benzoyloxymethylthiobenzene

bis(benzoyloxy)methane

formaldehyd

Downstream raw materials:

1-benzoyloxymethyl-pyridinium; chloride

bis(benzoyloxy)methane

formaldehyd

benzamide