What is the 2-Nitrobenzoic acid?

2-Nitrobenzoic acid is off-white powder, while it's Molecular Formula is C7H5 N O4. off-white powder 2-Nitrobenzoic Acid is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles.

What is the CAS number for 2-Nitrobenzoic acid?

The CAS number of 2-Nitrobenzoic acid is 552-16-9.

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

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

552-16-9 Relevant articles

Direct C–H Carboxylation Forming Polyfunctionalized Aromatic Carboxylic Acids by Combined Br?nsted Bases

Hanasaka, Kazuya,Izumi, Koki,Kondo, Yoshinori,Kwon, Eunsang,Nozawa-Kumada, Kanako,Shigeno, Masanori,Tohara, Itsuki,Yamakoshi, Hiroyuki

supporting information, p. 809 - 814 (2022/02/05)

CO2 fixation into electron-deficient aro...

Nitration of deactivated aromatic compounds via mechanochemical reaction

Wu, Jian-Wei,Zhang, Pu,Guo, Zhi-Xin

supporting information, (2021/05/05)

A variety of deactivated arenes were nit...

Light-induced carboxylation of aryl derivatives with cooperative COF as an active photocatalyst and Ni(ii) co-catalyst

Chakrabortty, Pekham,Das, Anjan,Chowdhury, Arpita Hazra,Ghosh, Swarbhanu,Khan, Aslam,Islam, Sk. Manirul

, p. 4738 - 4745 (2021/03/22)

The photocatalytic carboxylation of aryl...

Continuous production method of benzoic acid derivative

-

Paragraph 0032-0034, (2021/11/14)

The invention relates to the technical f...

552-16-9 Process route

: 612-24-8
o-nitrobenzonitrile

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

: 610-15-1
2-nitrobenzamide

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%

: 88-72-2
1-methyl-2-nitrobenzene

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

: 612-23-7
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;

552-16-9 Upstream products

110-86-1
pyridine
13675-12-2
bis-(2-nitro-benzoyl)-peroxide
577-59-3
2-acetylnitrobenzene
88-72-2
1-methyl-2-nitrobenzene

552-16-9 Downstream products

610-15-1
2-nitrobenzamide
606-27-9
methyl 2-nitrobenzoate
610-34-4
ethyl 2-nitrobenzoate
573-79-5
2,2'-azoxy-di-benzoic acid

;

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552-16-9

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

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

552-16-9 Relevant articles

Direct C–H Carboxylation Forming Polyfunctionalized Aromatic Carboxylic Acids by Combined Br?nsted Bases

Hanasaka, Kazuya,Izumi, Koki,Kondo, Yoshinori,Kwon, Eunsang,Nozawa-Kumada, Kanako,Shigeno, Masanori,Tohara, Itsuki,Yamakoshi, Hiroyuki

supporting information, p. 809 - 814 (2022/02/05)

Nitration of deactivated aromatic compounds via mechanochemical reaction

Wu, Jian-Wei,Zhang, Pu,Guo, Zhi-Xin

supporting information, (2021/05/05)

Light-induced carboxylation of aryl derivatives with cooperative COF as an active photocatalyst and Ni(ii) co-catalyst

Chakrabortty, Pekham,Das, Anjan,Chowdhury, Arpita Hazra,Ghosh, Swarbhanu,Khan, Aslam,Islam, Sk. Manirul

, p. 4738 - 4745 (2021/03/22)

Continuous production method of benzoic acid derivative

-

Paragraph 0032-0034, (2021/11/14)

552-16-9 Process route

552-16-9 Upstream products

552-16-9 Downstream products

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