3-Nitrophthalic acid

Molecule structure of 3-Nitrophthalic acid (CAS NO.603-11-2):

IUPAC Name: 3-Nitrophthalic acid 
Molecular Weight: 211.1284 g/mol
Molecular Formula: C₈H₅NO₆ 
Density: 1.671 g/cm³ 
Melting Point: 210 °C (dec.)(lit.)
Boiling Point: 441.3 °C at 760 mmHg 
Flash Point: 199.4 °C
Index of Refraction: 1.66
Molar Refractivity: 46.65 cm³
Molar Volume: 126.3 cm³
Surface Tension: 88 dyne/cm
Enthalpy of Vaporization: 73.63 kJ/mol
Vapour Pressure: 1.45E-08 mmHg at 25 °C 
Water Solubility: 20 g/L (25 °C)
XLogP3: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Exact Mass: 211.011687
MonoIsotopic Mass: 211.011687
Topological Polar Surface Area: 118
Heavy Atom Count: 15
Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N
EINECS: 210-030-8
Product Categories: Phthalic Acids, Esters and Derivatives; Organics; Organic acids; Dyes intermediates; C8; Carbonyl Compounds; Carboxylic Acids

 3-Nitrophthalic acid is mainly used as sensitive materials and pharmaceutical intermediates. It is available for the preparation of medicines, dyes, crop protection agents in organic synthesis.

Hazard Codes: Xi
Risk Statements: 36/37/38-41 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/39-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S39:Wear eye / face protection.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29173980
A preparative hazard. When heated to decomposition it emits toxic fumes of NO_x.

 3-Nitrophthalic acid (CAS NO.603-11-2) is also named as AI3-02074 ; NSC 3120 ; 1,2-Benzenedicarboxylic acid, 3-nitro- ; Phthalic acid, 3-nitro- (8CI) . 3-Nitrophthalic acid (CAS NO.603-11-2) is pale yellow crystals. It is soluble in water, methanol, ethanol, slightly soluble in ether, insoluble in chloroform, carbon tetrachloride, carbon disulfide, benzene. 3-Nitrophthalic acid is stable and incompatible with strong oxidizing agents.