4H-3,1-Benzoxazin-4-one,2-(2-thienyl)- supplier

Name
2-(2-THIENYL)-4H-3,1-BENZOXAZIN-4-ONE
EINECS
CAS No. 26060-06-0
Article Data20
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 142-143
Formula C₁₂H₇NO₂S
Boiling Point 357.8 °C at 760 mmHg
Molecular Weight 229.25
Flash Point 170.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(2-Thienyl)-4H-3,1-benzoxazin-4-one;2-(Thiophene-2-yl)benzo[d][1,3]oxazin-4-one;2-Thiophen-2-yl-benzo[d][1,3]oxazin-4-one;2-(2-Thienyl)-1-4H-3,1-benzoxazin-4-one;
PSA 71.34000
LogP 2.91650

4H-3,1-Benzoxazin-4-one,2-(2-thienyl)- Specification

The 4H-3,1-Benzoxazin-4-one,2-(2-thienyl)-, with the CAS registry number 26060-06-0, is also known as 2-(2-Thienyl)-4h-3,1-benzoxazin-4-one. This chemical's molecular formula is C₁₂H₇NO₂S and molecular weight is 229.25. What's more, its systematic name is 2-(Thiophen-2-yl)-4H-3,1-benzoxazin-4-one.

Physical properties about 4H-3,1-Benzoxazin-4-one,2-(2-thienyl) are: (1)ACD/LogP: 2.48; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.74; (6)ACD/BCF (pH 7.4): 44.75; (7)ACD/KOC (pH 5.5): 528.66; (8)ACD/KOC (pH 7.4): 528.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.9 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 63.3 cm³; (15)Molar Volume: 163.2 cm³; (16)Polarizability: 25.09×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 170.2 °C; (20)Enthalpy of Vaporization: 60.32 kJ/mol; (21)Boiling Point: 357.8 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1O\C(=N/c2c1cccc2)c3sccc3
(2) InChI: InChI=1/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H
(3) InChIKey: VGHJEBXWEGFRGH-UHFFFAOYAX

Product Name

2-(2-THIENYL)-4H-3,1-BENZOXAZIN-4-ONE

4H-3,1-Benzoxazin-4-one,2-(2-thienyl)- Specification

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