Benzoic acid, 2-nitro-

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

 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.

Hazard Codes: Xi, Xn
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 (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.