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552-16-9

  • Product Name2-Nitrobenzoic acid
  • Molecular FormulaC7H5 N O4
  • Molecular Weight167.121
  • Purity99%
  • Appearanceoff-white powder
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Product Details

Quick Details

  • CasNo: 552-16-9
  • Molecular Formula: C7H5 N O4
  • Appearance: off-white powder
  • Purity: 99%

Factory Supply High Purity 2-Nitrobenzoic acid 552-16-9 In Bulk Supply

  • Molecular Formula:C7H5 N O4
  • Molecular Weight:167.121
  • Appearance/Colour:off-white powder 
  • Vapor Pressure:3.26E-05mmHg at 25°C 
  • Melting Point:141-148 ºC 
  • Refractive Index:1.6280 (estimate) 
  • Boiling Point:340.7°Cat760mmHg 
  • PKA:2.16(at 18℃) 
  • Flash Point:157.5°C 
  • PSA:83.12000 
  • Density:1.468g/cm3 
  • LogP:1.81620 

2-Nitrobenzoic acid(Cas 552-16-9) Usage

Chemical Properties

off-white powder

Uses

NH2-protecting reagent.

Definition

ChEBI: A nitrobenzoic acid carrying the nitro substituent at position 2.

Synthesis Reference(s)

The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040Tetrahedron Letters, 35, p. 219, 1994 DOI: 10.1016/S0040-4039(00)76515-4

General Description

Yellowish white crystals with an intensely sweet taste.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides .

Health Hazard

ACUTE/CHRONIC HAZARDS: When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes.

Fire Hazard

Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.

Purification Methods

Crystallise the acid from *benzene (twice), n-butyl ether (twice), then water (twice). Dry and store it in a vacuum desiccator. [Le Noble & Wheland J Am Chem Soc 80 5397 1958.] It has also been crystallised from EtOH/H2O. The amide has m 176.5o (from H2O). [Beilstein 9 III 1466, 9 IV 1046.]

InChI:InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)/p-1

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552-16-9 Process route

o-nitrobenzonitrile
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o-nitrobenzonitrile

ortho-nitrobenzoic acid
552-16-9,104810-18-6

ortho-nitrobenzoic acid

2-nitrobenzamide
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Conditions
Conditions Yield
With phosphate buffer; at 30 ℃; for 4h; rhodococcus rhodocrous AJ270, pH 7.0;
10%
90%
With potassium phosphate buffer; at 30 ℃; for 4h; Rhodococcus sp. AJ270 cells;
10%
89.5%
1-methyl-2-nitrobenzene
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1-methyl-2-nitrobenzene

ortho-nitrobenzoic acid
552-16-9,104810-18-6

ortho-nitrobenzoic acid

2-nitrobenzyl chloride
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2-nitrobenzyl chloride

Conditions
Conditions Yield
With sodium hypochlorite; bis(2,2'-bipyridine)dichloronickel(II); In acetonitrile; for 1h; Yield given; Yields of byproduct given; Ambient temperature;
 
With hydrogenchloride; sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; water; at 20 ℃; for 49h; pH=9; Further Variations:; Reagents; various reagent ratios, reaction times; Product distribution;
 

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