CAS: 2894-68-0
Formula: C16H12Cl2N2O
Molecular weight: 319.185
Compound purity: > 99.7%
Appearance: Powder
IUPAC: 7-chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Synonyms: Chlorodiazepam, 2'-chloro-diazepam

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Diclazepam also known as 2-chlorodiazepam with a systematic name of 7-Chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one is classified as a benzodiazepine research compound and is an analogue of dizepam. The chemical formula for Diclazepam is C16H12Cl2N2O with an average mass of 319.185303 Da and a Monoisotopic mass of 318.032654 Da.

Research on Diclazepam was conducted by ACD/Labs’, US Environmental Protection Agency’s EPISuite, and ChemAxon. Properties that were predicted by ACD/Labs showed 3 #H bond acceptors, 1 #Freely rotating bonds, index of refraction at 1.647 with a surface tension of 47.5±7.0 dyne/cm, a flash point of 271.1±30.1 °C and a boiling point of 524.6±50.0 °C at 760 mmHg.

Properties that were predicted by the US Environmental Protection Agency’s EPISuite showed the boiling point at 453.01, melting point at 190.65, and the vapor pressure estimations at 1.59E-009. The report also showed water solubility at 25 deg C (mg/L): 20.5. The removal in wastewater treatment was 51.76 percent for total removal, total biodegradation is 6.85 percent, total sludge adsorption is .13 percent, and to air 0.00.

Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 33, bond count of 35, cyclomatic number of 3, chain atom count of 4, chain bond count of 5, asymmetric atom count of 0, and rotatable bond count of 1. Under geometry, the information provided showed deriding energy of 70.56 kcal/mol with a volume of 256.82 Å3, a minimal projection area of 49.46 Å2 and maximum at 77.83 Å2.

Chemical and physical properties of Diclazepam include a heavy atom count of 21, topological polar surface area of 32.7, covalently bonded unit count of 1, feature 3D acceptor count of 2, feature 3D ring count of 3, and effective rotor count of 1.4.

Diclazepam is intended for scientific research purposes in a controlled laboratory and is NOT intended for human consumption.

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