3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione supplier

Name
3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
EINECS
CAS No. 5118-94-5
Article Data1
CAS DataBase
Density 1.266 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 537.4 ºC at 760 mmHg
Molecular Weight 176.17
Flash Point 259.3 ºC
Transport Information
Appearance
Safety 26
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine-2,5-dione;3,4-Dihydro-1H-1,4-benzodiazepine-2,5-dione;3H-1,4-Benzodiazepine-2,5(1H,4H)-dione;
PSA 58.20000
LogP 0.83530

3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione Specification

The 3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione, with the CAS registry number 5118-94-5, has the synonym of 1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-.

The characteristics of this chemical are as follows: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.28; (8)ACD/KOC (pH 7.4): 8.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 ; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 45.38 cm³; (15)Molar Volume: 139 cm³; (16)Polarizability: 17.99 ×10^-24 cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.266 g/cm³; (19)Flash Point: 259.3 °C; (20)Enthalpy of Vaporization: 81.43 kJ/mol; (21)Boiling Point: 537.4 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-11 mmHg at 25°C.

When you are dealing with this chemical, you should be very cautious. For being a kind of chemical irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C2Nc1c(cccc1)C(=O)NC2
(2)InChI:InChI=1/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)
(3)InChIKey:AZHGGDCFQPMANU-UHFFFAOYAL

Product Name

3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE

3,4-Dihydro-1H-benzo[e][1,4]diazepine-2,5-dione Specification

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