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Home > Encyclopedia > 2-(Chloromethyl)-1-methyl-4-nitrobenzene

2-(Chloromethyl)-1-methyl-4-nitrobenzene

2-(Chloromethyl)-1-methyl-4-nitrobenzene structure

2-(Chloromethyl)-1-methyl-4-nitrobenzene 

structure
  • CAS No:

    58966-24-8

  • Formula:

    C8H8ClNO2

  • Chemical Name:

    2-(Chloromethyl)-1-methyl-4-nitrobenzene

  • Synonyms:

    2-(chloromethyl)-1-methyl-4-nitrobenzene;2-Methyl-5-Nitrobenzyl Chloride;Benzene, 2-(chloromethyl)-1-methyl-4-nitro- (9CI)

2-(Chloromethyl)-1-methyl-4-nitrobenzene Basic Attributes

185.61

185.02400

DTXSID10207705

2904909090

Characteristics

45.8

3.16520

1.277g/cm3

50 °C

320.7ºC at 760 mmHg

147.8ºC

1.566

Safety Information

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-(Chloromethyl)-1-methyl-4-nitrobenzene Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of benzophenone and urea. The benzophenone, urea and glacial acetic acid were mixed, refluxed for 7 hours and then cooled and filtered, and the crystals were washed with ether to obtain a crude product. The crude product is recrystallized with acetic acid and then recrystallized with ethanol to obtain dibenzimidazolone.

Uses

This product is an intermediate of the anti-tumor drug anti-tumor mustard.

Computed Properties

Molecular Weight:185.61
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:185.0243562
Monoisotopic Mass:185.0243562
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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