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Basic Information
CAS No.: 499-81-0
Name: 3,5-Pyridinedicarboxylic acid
Article Data: 29
Molecular Structure:
Molecular Structure of 499-81-0 (3,5-Pyridinedicarboxylic acid)
Formula: C7H5NO4
Molecular Weight: 167.121
Synonyms: Dinicotinic acid;5-Carboxynicotinic acid;3,5-pyridine dicarboxylic acid;Pyridine-3,5-dicarbonic acid;
EINECS: 207-893-8
Density: 1.551 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 463.7 °C at 760 mmH
Flash Point: 234.2 °C
Solubility: insoluble
Appearance: white crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-24/25-36/37/39
PSA: 87.49000
LogP: 0.47800
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Chemistry

Molecule structure of 3,5-Pyridinedicarboxylic acid (CAS NO.499-81-0):

IUPAC Name: Pyridine-3,5-dicarboxylic acid 
Molecular Weight: 167.1189 g/mol
Molecular Formula: C7H5NO4 
Density: 1.551 g/cm3 
Melting Point: >300 °C(lit.)
Boiling Point: 463.7 °C at 760 mmHg 
Flash Point: 234.2 °C
Index of Refraction: 1.627
Molar Refractivity: 38.2 cm3
Molar Volume: 107.7 cm3
Surface Tension: 83.5 dyne/cm 
Enthalpy of Vaporization: 76.39 kJ/mol
Vapour Pressure: 2.13E-09 mmHg at 25 °C
XLogP3-AA: -0.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 167.021858
MonoIsotopic Mass: 167.021858
Topological Polar Surface Area: 87.5
Heavy Atom Count: 12
Canonical SMILES: C1=C(C=NC=C1C(=O)O)C(=O)O
InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)
InChIKey: MPFLRYZEEAQMLQ-UHFFFAOYSA-N
EINECS: 207-893-8
Product Categories: pyridine derivative; Acids and Derivatives; Heterocycles; Pyridine Series; Pyridine

Uses

 3,5-Pyridinedicarboxylic acid (CAS NO.499-81-0) is used as the raw materials of organic synthesis and pharmaceutical intermediates.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-24/25-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29333999

Specification

 3,5-Pyridinedicarboxylic acid (CAS NO.499-81-0) is also named as 5-Carboxynicotinic acid ; AI3-52669 ; Dinicotinic acid ; NSC 6497 ; Pyridine-3,5-dicarboxylic acid . 3,5-Pyridinedicarboxylic acid (CAS NO.499-81-0) is white crystal powder.