5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one supplier

Name
5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
EINECS
CAS No. 177210-33-2
Article Data12
CAS DataBase
Density 1.396 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₃
Boiling Point 390.8 °C at 760 mmHg
Molecular Weight 165.148
Flash Point 190.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2H-1,4-benzoxazin-3(4H)-one,5-hydroxy-;
PSA 58.56000
LogP 0.86110

5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one Specification

The IUPAC name of this chemical is 5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one. With the CAS registry number 177210-33-2, it is also named as 2H-1,4-benzoxazin-3(4H)-one,5-hydroxy-. In addition, the formula is C₈H₇NO₃ and the molecular weight is 165.15.

Physical properties about 5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.04; (8)ACD/KOC (pH 7.4): 30.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 40.78 cm³; (15)Molar Volume: 118.2 cm³; (16)Polarizability: 16.16 ×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 66.53 kJ/mol; (21)Boiling Point: 390.8 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c2c(c1)OCC(=O)N2)O
(2)InChI: InChI=1/C8H7NO3/c10-5-2-1-3-6-8(5)9-7(11)4-12-6/h1-3,10H,4H2,(H,9,11)
(3)InChIKey: RVBZJDZYVVGTTH-UHFFFAOYAN

Product Name

5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one

5-Hydroxy-2H-1,4-benzoxazin-3(4H)-one Specification

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