6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one supplier

Name
6-bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one
EINECS
CAS No. 1017783-09-3
Article Data7
CAS DataBase
Density 1.676 g/cm³
Solubility
Melting Point 187-188 °C
Formula C₈H₆BrNO₂
Boiling Point 260.1 °C at 760 mmHg
Molecular Weight 228.045
Flash Point 111.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one;
PSA 38.33000
LogP 2.64920

6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one Specification

The 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one, with the CAS registry number 1017783-09-3, is also known as 2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-. This chemical's molecular formula is C₈H₆BrNO₂ and formula weight is 228.04. What's more, its systematic name is called 6-bromo-1,4-dihydro-3,1-benzoxazin-2-one.

Physical properties of 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.6; (9)Molar Refractivity: 46.58 cm³; (10)Molar Volume: 136 cm³; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.676 g/cm³; (13)Melting Point: 187-188 °C; (14)Flash Point: 111.1 °C; (15)Enthalpy of Vaporization: 49.78 kJ/mol; (16)Boiling Point: 260.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2NC(=O)OCc2c1
(2)InChI: InChI=1/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
(3)InChIKey: SSTOTANBGDRSRF-UHFFFAOYAX

Product Name

6-bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one

6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one Specification

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