14255-87-9
Product Name:
Parbendazole
Formula:
C13H17N3O2
Synonyms:
Methyl (5-butyl-1H-benzoimidazol-2-yl)carbamate;Methyl 5(6)-butyl-2-benzimidazolecarbamate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals or fine white powder. (NTP, 1992) |
|---|---|
| Melting Point | 491 to 495 °F (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Collision Cross Section | 164.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H361:Reproductive toxicity |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.29 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 247.132076794 g/mol |
| Monoisotopic Mass | 247.132076794 g/mol |
| Topological Polar Surface Area | 67 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285 |
| 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
Crystals or fine white powder. (NTP, 1992)