CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Yellow crystalline powder |
|---|---|
| Odor | PRACTICALLY ODORLESS |
| Melting Point | 236-236.5 |
| Solubility | 2000 mg/L |
| LogP | 2.44 |
| Stability/Shelf Life | HYDROLYZES IN ACID @ 100 °C /CHLORDIAZEPOXIDE HYDROCHLORIDE/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of nitroxides. |
| Dissociation Constants | 4.8 |
| Collision Cross Section | 170.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | Chlordiazepoxide 1 mg is approx equivalent to 1.1 mg of chlordiazepoxide hydrochloride. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 299.75 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.0825398 g/mol |
| Monoisotopic Mass | 299.0825398 g/mol |
| Topological Polar Surface Area | 48.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 580 |
| 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
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine is a benzodiazepine.