3,4-Pyridinedicarboxylic Acid

Catalog Number

ACM-MO-490119

Product Name

3,4-Pyridinedicarboxylic Acid

Structure

CAS

490-11-9

Category

Pyridines

Synonyms

Cinchomeronic Acid

IUPAC Name

pyridine-3,4-dicarboxylic acid

Molecular Weight

167.12 g/mol

Molecular Formula

C7H5NO4

Canonical SMILES

C1=CN=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

InChI Key

MUYSADWCWFFZKR-UHFFFAOYSA-N

Boiling Point

295.67°C (rough estimate)

Melting Point

260 °C (dec.)

Density

1.5216 (rough estimate)

Solubility

Insoluble in water.

Appearance

White to Light Yellow to Light Orange Powder to Crystal

Storage

Store under inert gas

Complexity

204

Condition To Avoid

Air Sensitive

Covalently-Bonded Unit Count

1

EC Number

207-705-4

Exact Mass

167.021858g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

5

H-Bond Donor

2

Heavy Atom Count

12

MDL Number

MFCD00006392

Monoisotopic Mass

167.021858g/mol

NSC Number

178

Physical State

Solid

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.62

Rotatable Bond Count

2

Signal Word

Warning

SpecificGravity

1.16

UNII

7389UZW5DY

XLogP3

-0.1

MSDS

COA

Spec Sheet