CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | LIQUID |
|---|---|
| Boiling Point | 127-129 °C/0.5 MM HG |
| Melting Point | 122-124 |
| Density | 1.038 @ 26 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5210 @ 26 °C/D; 1.5220 @ 28 °C/D |
| Kovats Retention Index | 1836 1845 1840 1848 1844 1844.1 1823 1857 |
| Other Experimental Properties | PH (1 IN 100 SOLN) BETWEEN 3.5 & 4.5; MELTS WITHIN A 3 DEG RANGE BETWEEN 135 DEG & 145 °C /CITRATE/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302: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 |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 | 261.36 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 261.172878976 g/mol |
| Monoisotopic Mass | 261.172878976 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 299 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethoheptazine is a member of azepanes.