Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Nitrobenzoic Acid

Related Products

Hot Products

Name

2-Nitrobenzoic Acid

EINECS 209-004-9
CAS No. 552-16-9 Density 1.468g/cm3
PSA 83.12000 LogP 1.81620
Solubility 6.8 g/L Melting Point 141-148 ºC
Formula C7H5 N O4 Boiling Point 340.7°Cat760mmHg
Molecular Weight 167.121 Flash Point 157.5°C
Transport Information N/A Appearance off-white powder
Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS. Risk Codes R22;R36/37/38;R68   
Molecular Structure Molecular Structure of 552-16-9 (2-Nitrobenzoic acid) Hazard Symbols
Synonyms

Benzoicacid, o-nitro- (8CI); 2-Nitrobenzoic acid; NSC 9576; o-Carboxynitrobenzene;o-Nitrobenzoic acid

Article Data 341

2-Nitrobenzoic Acid Synthetic route

3717-25-7, 4836-00-4, 6635-41-2

2-nitrobenzaldehyde oxime

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 63h; Heating;100%
With zinc dichromate(VI) In dichloromethane for 3.5h; Ambient temperature;90%
552-89-6

2-nitro-benzaldehyde

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
Stage #1: 2-nitro-benzaldehyde With potassium permanganate; disodium hydrogenphosphate In methanol; water at 25℃; Continuous flow conditions; Sonication;
Stage #2: With hydrogenchloride; sodium thiosulfate; sodium chloride In methanol; water; ethyl acetate
Stage #3: With hydrogenchloride; sodium thiosulfate; sodium chloride In methanol; water; ethyl acetate
98%
With C54H24F15N5Pd; oxygen In dichloromethane; acetonitrile at 20℃; Catalytic behavior; Reagent/catalyst; Solvent; Irradiation;98%
With potassium bromate In acetic acid for 0.25h; Heating;95%
15121-85-4

1,3-dihydroxy-2-(2-nitrophenyl)propane

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With jones reagent In acetone for 6h; Ambient temperature; addition at 0 deg C;96%
58809-90-8

4-methyl-N'-(2-nitrobenzylidene)-benzenesulfonohydrazide

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 8h; Heating;96%
88-72-2

1-methyl-2-nitrobenzene

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h; Rate constant; pH 9;95%
With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h;95%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; sodium bromide at 40℃; for 12h; Temperature;94.2%
612-25-9

2-Nitrobenzyl alcohol

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With tetra-N-butylammonium tribromide In acetonitrile at 20℃; for 15h; Irradiation;95%
With dihydrogen peroxide; methyltrioctylammonium tetrakis(oxodiperoxotungsto)phosphate at 90℃; for 9h;91%
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 6h;90%
612-24-8

o-nitrobenzonitrile

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With water; hydrogen bromide; acetic acid for 24h; Reflux;95%
With phosphate buffer at 30℃; for 96h; rhodococcus rhodocrous AJ270, pH 7.0;86%
With potassium phosphate buffer at 30℃; for 90h; Rhodococcus sp. AJ270 cells;85.7%
606-27-9

methyl 2-nitrobenzoate

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With iron(III) sulfate; water In toluene at 110℃; for 4h; Ionic liquid;95%
With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.25h;70%
With potassium carbonate; thiophenol In 1-methyl-pyrrolidin-2-one at 190℃; for 0.166667h; Substitution;65%

2-ethyl-3-nitrophenol

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
Stage #1: 2-ethyl-3-nitrophenol With 2-propoxyethanol at 35℃; for 0.833333h;
Stage #2: With triphenylphosphine for 1.5h; Temperature;
95%
1929-19-7

bis-(2-nitro-benzylidene)-hydrazine

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 86h; Heating;93%

2-Nitrobenzoic Acid Chemical Properties

Molecule structure of 2-Nitrobenzoic Acid (CAS NO.552-16-9) :

IUPAC Name: 2-nitrobenzoic acid 
Molecular Weight: 167.1189 g/mol
Molecular Formula: C7H5NO4
Density: 1.468 g/cm3 
Melting Point: 147.5 deg C
Boiling Point: 340.7 °C at 760 mmHg 
Flash Point: 157.5 °C
Appreance: off-white powder
Storage temp.: store at RT. 
Merck: 14,6589
Molar Volume: 113.8 cm3
Polarizability: 15.74*10-24 cm3
Surface Tension: 66.4 dyne/cm 
Enthalpy of Vaporization: 61.67 kJ/mol 
pKa Dissociation Constant: 2.47
log P (octanol-water): 1.46
Water Solubility: 7850 mg/L
Vapor Pressure: 7.14E-05 mm Hg
Henry's Law Constant: 4.28E-10 atm-m3/mole
Atmospheric OH Rate Constant: 5.86E-13 cm3/molecule-sec
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 167.021858
MonoIsotopic Mass: 167.021858
Topological Polar Surface Area: 80.4
Heavy Atom Count: 12
Complexity: 198
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey: SLAMLWHELXOEJZ-UHFFFAOYSA-N
EINECS: 209-004-9
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Biochemistry; Reagents for Oligosaccharide Synthesis; C7; Carbonyl Compounds; Carboxylic Acids 

2-Nitrobenzoic Acid Uses

 2-Nitrobenzoic Acid (CAS NO.552-16-9) is used in pharmaceutical synthesis and organic synthesis.

2-Nitrobenzoic Acid Production

 O-nitro toluene , water, potassium hydroxide mixture heated to boiling, and then adding potassium permanganate in batches. Oxidation reaction is complete, filtering, sub-tilting to the oil, the filtrate acidification, filtration, washing, water re-crystallization of crude product derived product.

2-Nitrobenzoic Acid Safety Profile

Hazard Codes: IrritantXi, HarmfulXn
Risk Statements: 36/37/38-68-22
R36/37/38: Irritating to eyes, respiratory system and skin 
R68: Possible risk of irreversible effects 
R22: Harmful if swallowed
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
RTECS: DH5050000
HS Code: 29163900

2-Nitrobenzoic Acid Specification

 2-Nitrobenzoic Acid (CAS NO.552-16-9) is also called AI3-08821 ; CCRIS 2334 ; o-Carboxynitrobenzene ; o-Nitrobenzoic acid ; Benzoic acid, 2-nitro- ; Benzoic acid, o-nitro- ; o-Nitrobenzoic acid . 2-Nitrobenzoic Acid (CAS NO.552-16-9) is soluble in ethanol, ethyl ether, acetone, methanol, soluble in water and chloroform, very slightly soluble in benzene and carbon disulfide. 2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides. When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes. Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 552-16-9