CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Yellow liquid |
| Odor | ODOR SIMILAR TO THAT OF QUINOLINE |
| Boiling Point | 227-228 °C AT 765 MM HG |
| Melting Point | 2 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALC, CARBON DISULFIDE |
| Density | 1.246 AT 20 °C/4 °C |
| Vapor Pressure | 0.01 [mmHg] |
| LogP | 2.01 |
| Decomposition | WHEN HEATED TO DECOMP, THEY EMIT HIGHLY TOXIC FUMES OF SO(X)/SULFIDES/ |
| Odor Threshold | Odor Threshold Low: 0.08 [mmHg] Odor Threshold High: 0.4 [mmHg] Odor threshold from CHEMINFO |
| Refractive Index | INDEX OF REFRACTION: 1.6379 AT 20 °C/D |
| Collision Cross Section | 134.7 Ų [M+Na]+ |
| Kovats Retention Index | 1187 1190 1207.9 1187 1196 1202 1207 1201 1185 1187 1190 1230 1183.4 1183.5 1200 1180 1186 1210.5 1196 1198 1184 1186 1186 1186 1190 1183 1183 1178 1186 1193 1196 |
| Chemical Classes | Nitrogen Compounds -> Thiazoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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 | 135.19 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.01427034 g/mol |
| Monoisotopic Mass | 135.01427034 g/mol |
| Topological Polar Surface Area | 41.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 105 |
| 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
Benzothiazole is an organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. It has a role as a plant metabolite, a xenobiotic and an environmental contaminant.