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2,6-Pyridinedicarboxylic acid(CAS No. 499-83-2)

2,6-Pyridinedicarboxylic acid C7H5NO4 (cas 499-83-2) Molecular Structure

499-83-2 Structure

Identification and Related Records

【Name】
2,6-Pyridinedicarboxylic acid
【Iupac name】
pyridine-2,6-dicarboxylic acid
【CAS Registry number】
499-83-2
【Synonyms】
Dipicolinic acid
Pyridine-2,6-dicarboxylic acid
2,6-DIPICOLINIC ACID
AKOS 2002
'DIPICOLINIC ACID'
IFLAB-BB F0451-0137
LABOTEST-BB LT00848023
RARECHEM AL BO 1335
2.6-pyridine carboxylic acid
【EINECS(EC#)】
207-894-3
【Molecular Formula】
C7H5NO4 (Products with the same molecular formula)
【Molecular Weight】
167.12
【Inchi】
InChI=1/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
【InChIKey】
WJJMNDUMQPNECX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=NC(=C1)C(=O)O)C(=O)O
【MOL File】
499-83-2.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.551g/cm3
【Melting Point】
248-250℃
【Boiling Point】
463.7°Cat760mmHg
【Vapour】
2.13E-09mmHg at 25°C
【Flash Point】
188℃
【Water】
5 g/L (20℃)
【Solubilities】
5 g/L (20 °C) in water
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:167.1189 [g/mol]
Molecular Formula:C7H5NO4
XLogP3-AA:0.6
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
Formal Charge:0
Complexity:184
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38-37/38-36?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R37/38:Irritating to respiratory system and skin.?
R36:Irritating to eyes.
Safety Statements: 26-36-24/25-37?
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.?
S37:Wear suitable gloves.
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT
HS Code: 29333999

【Transport】
25kgs
【Specification】

?Dipicolinic acid (CAS NO.499-83-2) is also named as 2,6-Dipicolinic acid ; Dipicolinate ; NSC 176?; 2,6-Pyridinedicarboxylic acid?.?Dipicolinic acid (CAS NO.499-83-2) is white crystalline powder. It is?insoluble in ethanol.

Use and Manufacturing

【Usage】
Used to prepare dipicolinato ligated lanthanide1 and transition metal2 complexes.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
- Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
【Therapeutic Uses】
Used to prepare dipicolinato ligated lanthanide1 and transition metal2 complexes.

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