443-48-1
Product Name:
Metronidazole
Formula:
C6H9N3O3
Synonyms:
2-Methyl-5-nitroimidazole-1-ethanol;MTZ
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Metronidazole is a white to pale-yellow crystalline powder with a slight odor. Bitter and saline taste. pH (saturated aqueous solution) about 6.5. (NTP, 1992) |
|---|---|
| Color/Form | Cream-colored crystals |
| Odor | ODORLESS |
| Boiling Point | 405.4 |
| Melting Point | 316 to 320 °F (NTP, 1992) |
| Solubility | >25.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -0.02 |
| LogS | -1.5 |
| Stability/Shelf Life | Stable in air but darkens on exposure to light. |
| pH | pH of saturated aq soln is 5.8 |
| Ionization Efficiency | Positive |
| Dissociation Constants | 2.57,15.42 |
| Collision Cross Section | 132.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1590 1618 1592 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H340:Germ cell mutagenicity H350:Carcinogenicity H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 171.15 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.06439116 g/mol |
| Monoisotopic Mass | 171.06439116 g/mol |
| Topological Polar Surface Area | 83.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170 |
| 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
Metronidazole is a white to pale-yellow crystalline powder with a slight odor. Bitter and saline taste. pH (saturated aqueous solution) about 6.5. (NTP, 1992)