2,2'-Bipyridine-6,6'-dicarboxylic Acid

Catalog Number

ACM4479747

Product Name

2,2'-Bipyridine-6,6'-dicarboxylic Acid

Structure

CAS

4479-74-7

Category

Heterocyclic Organic Compound

Synonyms

2,2'-dipyridyl-6,6'-dicarboxylic acid; B3533; [2,2'-Bipyridine]-6,6'-dicarboxylic acid; 2,2'-BIPYRIDINE-6,6'-DICARBOXYLIC ACID; 2,2-bipyridine-6,6-dicarboxylic acid; 6-(6-carboxypyridin-2-yl)pyridine-2-carboxylic Acid; CTK4I8462; CS-W004578; AKOS022175262; CHEMBL3586255;

IUPAC Name

6-(6-carboxypyridin-2-yl)pyridine-2-carboxylic acid

Molecular Weight

244.21

Molecular Formula

C12H8N2O4

Canonical SMILES

C1=CC(=NC(=C1)C(=O)O)C2=NC(=CC=C2)C(=O)O;

InChI

InChI=1S/C12H8N2O4/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18/h1-6H,(H,15,16)(H,17,18)

InChI Key

DASAXWLMIWDYLQ-UHFFFAOYSA-N

Melting Point

288 °C

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

302

CompoundIs Canonicalized

Yes

Condition To Avoid

Light Sensitive,Air Sensitive, Hygroscopic

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Exact Mass

244.04840674g/mol

Formal Charge

0

Hazard Statements

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

H-Bond Acceptor

6

H-Bond Donor

2

Heavy Atom Count

18

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

2

Isotope Atom Count

0

MDL Number

MFCD11042476

Monoisotopic Mass

244.04840674g/mol

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

3

Signal Word

Warning

SpecificGravity

1.16

Topological Polar Surface Area

100Ų

Undefined Atom Stereocenter Count

0

Undefined Bond Stereocenter Count

0

XLogP3

1.2

MSDS

COA

Spec Sheet