CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Yellow crystalline powder |
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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 |
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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 |
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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.