4-Aminophthalic acid

IUPAC Name: 4-Aminophthalic acid
Synonyms of 4-Aminophthalic acid  (CAS NO.5434-21-9): 4-Amino-1,2-benzenedicarboxylic acid ; 1,2-Benzenedicarboxylic acid, 4-amino- ; 1,2 Benzenedicarboxylicacid, 4-amino-
CAS NO: 5434-21-9
Molecular Formula: C₈H₇NO₄
Molecular Weight: 181.14
Molecular Structure:
EINECS: 226-596-4
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 3
Polar Surface Area: 55.84 Å²
Index of Refraction: 1.684
Molar Refractivity: 44.34 cm³
Molar Volume: 116.7 cm³
Surface Tension: 87.7 dyne/cm
Density: 1.551 g/cm³
Flash Point: 235.1 °C
Enthalpy of Vaporization: 76.56 kJ/mol
Boiling Point: 465.1 °C at 760 mmHg
Vapour Pressure: 1.88E-09 mmHg at 25°C
Melting Point: 344 °C (dec.)(lit.)
Appearance: Beige powder
SMILES: O=C(O)c1c(cc(N)cc1)C(=O)O
InChI: InChI=1/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey: OXSANYRLJHSQEP-UHFFFAOYAI
Std. InChI: InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
Std. InChIKey: OXSANYRLJHSQEP-UHFFFAOYSA-N
Product Categories of 4-Aminophthalic acid  (CAS NO.5434-21-9): Phthalic Acids, Esters and Derivatives;Organic acids;Aromatic Amino Acids;Peptide Synthesis;Unnatural Amino Acid Derivatives

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38: 4-Aminophthalic acid  (CAS NO.5434-21-9) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3