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Home > Encyclopedia > Dimethyl 5-nitroisophthalate

Dimethyl 5-nitroisophthalate

Dimethyl 5-nitroisophthalate structure

Dimethyl 5-nitroisophthalate 

structure
  • CAS No:

    13290-96-5

  • Formula:

    C10H9NO6

  • Chemical Name:

    Dimethyl 5-nitroisophthalate

  • Synonyms:

    1,3-Benzenedicarboxylic acid,5-nitro-,1,3-dimethyl ester;Isophthalic acid,5-nitro-,dimethyl ester;1,3-Benzenedicarboxylic acid,5-nitro-,dimethyl ester;Dimethyl 5-nitroisophthalate;5-Nitroisophthalic acid dimethyl ester;Dimethyl 5-nitrobenzene-1,3-dicarboxylate;5-Nitrobenzene-1,3-dicarboxylic acid dimethyl ester;NSC 93786

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

slightly yellow fine crystalline powder

Dimethyl 5-nitroisophthalate Basic Attributes

239.18

239.18

2140916

236-307-3

AM7XSW83FE

93786

DTXSID3065403

29173990

Characteristics

98.4

1.9

slightly yellow fine crystalline powder

1.4504 (rough estimate)

118-121 °C

381.83°C (rough estimate)

164.8±24.3 °C

1.5310 (estimate)

7.12E-10mmHg at 25°C

Safety Information

UN 2811

2

20/21/22

22-24/25-36

CZ4340000

Xn

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Dimethyl 5-nitroisophthalate Use and Manufacturing

Methods of Manufacturing

It is obtained by esterification of 5-nitroisophthalic acid ([618-88-2]) with methanol in the presence of sulfuric acid. Add 5-nitroisophthalic acid, methanol, and sulfuric acid into the reaction pot, stir and heat, and reflux for 7 hours. Discharge, cool and filter. The filter cake is washed with distilled water and dried to obtain dimethyl 5-nitroisophthalate. The yield is 90%.

Uses

Used as an intermediate in organic synthesis

1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester: ACTIVE

Computed Properties

Molecular Weight:239.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:239.04298701
Monoisotopic Mass:239.04298701
Topological Polar Surface Area:98.4
Heavy Atom Count:17
Complexity:299
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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