diazepam
Structural formula
| Business number | 04TY |
|---|---|
| Molecular formula | C16H13ClN2O |
| Molecular weight | 284.74 |
| label |
7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one, Ro 5-2807, 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-one, 7-Chloro-2,3-dihydro-1methyl-5-phenyl-1,4-benzodiazepin-2, stable, Benzodiazepine, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepine-2-one, diazepam, ① Diazepam ② Diazepam (0405 requires application for export license), Benzodiazepine |
Numbering system
CAS number:439-14-5
MDL number:MFCD00057323
EINECS number:207-122-5
RTECS number:DF1575000
BRN number:None
PubChem number:24893306
Physical property data
一 , physical property data
Traits ：White or off-white crystalline powder
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC):125-126
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): 11
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties:Easily soluble in acetone, chloroform, petroleum ether, soluble in In ethanol, very slightly soluble in water
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:80.91
2、 Molar volume（m3/mol)：225.8
3、 Isotonic specific volume (90.2K):588.6
4、 Surface tension（dyne/cm)：46.1
5、 Polarizability(10-24cm3)：32.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 32.7
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 403
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
By2- Amino-5-Chlorobenzophenone is obtained by condensation, cyclization, ring expansion, methylation and elimination.
Purpose
Weak tranquillizer. It has sedative, hypnotic, anti-anxiety, anti-convulsant, anti-epileptic and muscle relaxing effects. It is mainly used to treat anxiety disorders and general insomnia. It is also used for anti-epileptic and anti-convulsant drugs. It can also be used as an auxiliary drug for general anesthesia as a pre-anesthetic drug.