59-63-2
Product Name:
ISOCARBOXAZID (200 MG)
Formula:
C12H13N3O2
Synonyms:
5-Methyl-3-isoxazolecarboxylic acid 2-benzylhydrazide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 394.5ºC at 760 mmHg |
| Melting Point | 105-106 °C |
| Solubility | Very slightly soluble in hot water |
| LogP | 1.49 |
| Dissociation Constants | 10.4 |
| Collision Cross Section | 152.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1926 1960 1975 1949 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| 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. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 231.25 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 231.100776666 g/mol |
| Monoisotopic Mass | 231.100776666 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 254 |
| 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
5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide is a member of benzenes.