132-60-5
Product Name:
CINCHOPHEN
Formula:
C16H11NO2
Synonyms:
2-Phenylcinchoninic acid;Cinchophen
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | NEEDLES FROM METHANOL OR DILUTED ALCOHOL |
|---|---|
| Odor | ODORLESS |
| Taste | SLIGHTLY BITTER TASTE |
| Melting Point | 218 °C |
| Solubility | RAPIDLY LOSES WATER OF CRYSTALLIZATION ON EXPOSURE TO AIR; SOL IN WATER, ALC; PRACTICALLY INSOL IN ETHER /LITHIUM SALT OCTAHYDRATE/ |
| Stability/Shelf Life | STABLE TO AIR, BUT TURNS YELLOW UNDER THE INFLUENCE OF LIGHT |
| Refractive Index | INDEX OF REFRACTION IN ORTHORHOMBIC SYSTEM: 1.545 (ALPHA), 1.575 (BETA), EXCEEDS 1.734 (GAMMA); INDEX OF REFRACTION IN TRICLINIC SYSTEM: 1.545 (ALPHA), 1.590 (BETA), 1.630 (GAMMA); INDEX OF REFRACTION IN TRICLINIC SYSTEM: 1.545 (ALPHA), 1.590 (BETA), 1.630 (GAMMA) |
| Collision Cross Section | 154.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | OPTIC SIGN: +; ELONGATION: +; AXIAL ANGLE: 2V= 45 DEG /ORTHORHOMBIC SYSTEM/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 249.26 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.078978594 g/mol |
| Monoisotopic Mass | 249.078978594 g/mol |
| Topological Polar Surface Area | 50.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 325 |
| 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 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-phenyl-4-quinolinecarboxylic acid is a member of quinolines.