Introduction：Basic information about CAS 894-77-9|3-AMINO-7-CHLORO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-AMINO-7-CHLORO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE |
|---|
| CAS Number | 894-77-9 | Molecular Weight | 285.728 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 484.4±45.0 °C at 760 mmHg |
|---|
| Molecular Formula | C15H12ClN3O | Melting Point | / |
|---|
| MSDS | / | Flash Point | 246.8±28.7 °C |
|---|
Names
| Name | 3-amino-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 484.4±45.0 °C at 760 mmHg |
|---|
| Molecular Formula | C15H12ClN3O |
|---|
| Molecular Weight | 285.728 |
|---|
| Flash Point | 246.8±28.7 °C |
|---|
| Exact Mass | 285.066895 |
|---|
| PSA | 67.48000 |
|---|
| LogP | 2.52 |
|---|
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
|---|
| Index of Refraction | 1.696 |
|---|
| InChIKey | TUINAAYXMRLCEA-UHFFFAOYSA-N |
|---|
| SMILES | NC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DF2310000
- CHEMICAL NAME :
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-amino-7-chloro-5-phenyl-
- CAS REGISTRY NUMBER :
- 894-77-9
- BEILSTEIN REFERENCE NO. :
- 0754064
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H12-Cl-N3-O
- MOLECULAR WEIGHT :
- 285.75
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,776,1977
|
Synonyms
| 2H-1,4-Benzodiazepin-2-one, 3-amino-7-chloro-1,3-dihydro-5-phenyl- |
| 3-amino-7-chloro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one |
| 3-amino-7-chloro-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one |
| 1,3-Dihydro-3-amino-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one |
| 2H-1,4-Benzodiazepin-2-one,1,3-dihydro-3-amino-7-chloro-5-phenyl |
| 3-Amino-7-chlor-1.3-dihydro-5-phenyl-2H-1.4-benzodiazepin-2-on |
| 3-Amino-7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
