51753-57-2

Name 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one
CAS 51753-57-2
EINECS(EC#) 682-231-2
Molecular Formula C15H10BrClN2O
MDL Number MFCD00423674
Molecular Weight 349.61
MOL File 51753-57-2.mol

Chemical Properties

Melting point  214-224°C
Boiling point  493.0±45.0 °C(Predicted)
density  1.61±0.1 g/cm3(Predicted)
Fp  2℃
storage temp.  Controlled Substance, -20°C Freezer
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 11.58±0.70(Predicted)
color  Pale Yellow
Usage A benzodiazepine drug, which is used in the treatment of neurological disorders such as epilepsy, alcohol withdrawal and insomnia. It can be used as a premedication before surgery as it augments the effects of anesthetics and reduces anxiety
Major Application clinical testing
InChI 1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey CGMJQQJSWIRRRL-UHFFFAOYSA-N
SMILES Clc1ccccc1C2=NCC(=O)Nc3ccc(Br)cc23
CAS DataBase Reference 51753-57-2(CAS DataBase Reference)

Safety Data

Hazard Codes  F,Xn
Risk Statements 
Safety Statements 
RIDADR  UN 1648 3 / PGII
WGK Germany  2
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Muta. 1B
Toxicity
LD50 ipr-rat: 720 mg/kg KHFZAN 13(10),108,79

Hazard Information