54-95-5
Product Name:
Pentetrazol
Formula:
C6H10N4
Synonyms:
α,β-Cyclopentamethylenetetrazole;1,5-Pentamethylenetetrazole;6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine;Metrazole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pentetrazol appears as white crystalline powder or granular solid with a slightly pungent odor. Bitter taste. Aqueous solutions neutral to litmus. (NTP, 1992) |
|---|---|
| Melting Point | 135 to 136 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| Collision Cross Section | 124.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1615 1570 1600 1600 1552 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 138.17 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 138.090546336 g/mol |
| Monoisotopic Mass | 138.090546336 g/mol |
| Topological Polar Surface Area | 43.6 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116 |
| 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
Pentetrazol appears as white crystalline powder or granular solid with a slightly pungent odor. Bitter taste. Aqueous solutions neutral to litmus. (NTP, 1992)