Phosphoricacid, diethyl 4-oxo-1,2,3-benzotriazin-3-yl ester

The IUPAC name of DEPBT is Diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate. With the CAS registry number 165534-43-0, it is also named as 3-(Diethoxyphosphoryloxy)-1,2,3-benzotrizin-4(3H)-one. The product's categories are Coupling Reagent; Peptide Coupling Reagents; Biochemistry; Condensation & Active Esterification; Coupling Reactions (Peptide Synthesis); Peptide Synthesis; Synthetic Organic Chemistry; Peptide; Building Blocks; Heterocyclic Building Blocks; Triazines; Antibiotics. Besides, it is light yellow crystalline powder, which should be stored in closed, ventilated, cool and dry place at -15 °C. 

The other characteristics of DEPBT can be summarized as: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)H bond acceptors: 7; (6)H bond donors: 0; (7)Freely Rotating Bonds: 5; (8)Polar Surface Area: 90.37 Å²; (9)Index of Refraction: 1.611; (10)Molar Refractivity: 69.17 cm³; (11)Molar Volume: 199.1 cm³; (12)Surface Tension: 58.1 dyne/cm; (13)Density: 1.42 g/cm³; (14)Flash Point: 184.3 °C; (15)Melting point: 75-77 °C; (16)Enthalpy of Vaporization: 62.94 kJ/mol; (17)Boiling Point: 381.2 °C at 760 mmHg; (18)Vapour Pressure: 5.17E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=P(OCC)(OCC)N1\N=N/c2ccccc2C1=O
(2)InChI:InChI=1/C11H14N3O4P/c1-3-17-19(16,18-4-2)14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3
(3)InChIKey:IQRWMMIWGVPOBI-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C11H14N3O4P/c1-3-17-19(16,18-4-2)14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey:IQRWMMIWGVPOBI-UHFFFAOYSA-N