Benzoic acid, 2-(chloromethyl)-, methyl ester
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Benzoic acid, 2-(chloromethyl)-, methyl ester
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CAS No:
34040-62-5
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Formula:
C9H9ClO2
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Chemical Name:
Benzoic acid, 2-(chloromethyl)-, methyl ester
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Synonyms:
Benzoic acid,2-(chloromethyl)-,methyl ester;o-Toluic acid,α-chloro-,methyl ester;Methyl 2-chloromethylbenzoate;Methyl o-(chloromethyl)benzoate;2-(Chloromethyl)benzoic acid methyl ester
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CAS No:
Benzoic acid, 2-(chloromethyl)-, methyl ester Basic Attributes
184.62
184.62
251-805-0
AQL5KKV3B3
DTXSID70187650
2916399090
Safety Information
Ⅲ
8
UN 3265 8/PG III
8
P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501
H290
|Danger|H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzoic acid, 2-(chloromethyl)-, methyl ester Use and Manufacturing
The preparation method is to add o-methylbenzoyl chloride into a chlorination kettle, heat up to 90°C, and pass in chlorine gas for about 5 hours. Use gas chromatography to track and analyze and control the chlorine gas flow. When the by-product o-dichloromethyl benzoyl chloride reaches 0.8%, stop the chlorine gas flow, cool to room temperature, and transfer to a distillation pot for distillation to obtain o-chloromethyl benzoyl chloride. Further add o-chloromethyl benzoyl chloride into the esterification kettle, add quantitative methanol to heat, reflux for about 3 h, sample and analyze qualified, distill, first distill the methanol, and then distill under reduced pressure to obtain methyl o-chloromethyl benzoate . It can also be chlorinated with methyl o-methylbenzoate in the presence of a catalyst, and the reaction temperature is 65-80°C.
Methyl o-chloromethylbenzoate is an intermediate of the herbicide bensulfuron-methyl.
Computed Properties
Molecular Weight:184.62
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:184.0291072
Monoisotopic Mass:184.0291072
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 2-(chloromethyl)-, methyl ester
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