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Home > Encyclopedia > Benzoic acid, 4-chloro-3-methyl-, methyl ester

Benzoic acid, 4-chloro-3-methyl-, methyl ester

Benzoic acid, 4-chloro-3-methyl-, methyl ester structure

Benzoic acid, 4-chloro-3-methyl-, methyl ester 

structure
  • CAS No:

    91367-05-4

  • Formula:

    C9H9ClO2

  • Chemical Name:

    Benzoic acid, 4-chloro-3-methyl-, methyl ester

  • Synonyms:

    Benzoic acid,4-chloro-3-methyl-,methyl ester;m-Toluic acid,4-chloro-,methyl ester;4-Chloro-3-methylbenzoic acid methyl ester;Methyl 4-chloro-3-methylbenzoate

Benzoic acid, 4-chloro-3-methyl-, methyl ester Basic Attributes

184.62

184.62

618-736-1

DTXSID80426764

2916399090

Characteristics

26.3

2.43500

1.21

247°C at 760 mmHg

113.6ºC

1.537

Safety Information

S24/25

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Benzoic acid, 4-chloro-3-methyl-, methyl ester Use and Manufacturing

Preparation 1Methyl 4-chloro-3-methylbenzoateTo a solution of 4~chloro-3-methylbenzoic acid (25 g) in DMF (550 ml) under a dry atmosphere was added portion wise 50 g of caesium carbonate and then slowly, 10, 95 ml of methyl iodide.

Computed Properties

Molecular Weight:184.62
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:184.0291072
Monoisotopic Mass:184.0291072
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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