Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-2H-1,4-benzoxazin-3(4H)-one |
EINECS | N/A |
CAS No. | 24036-52-0 | Density | 1.677 g/cm3 |
PSA | 38.33000 | LogP | 1.91800 |
Solubility | N/A | Melting Point |
220-225 °C |
Formula | C8H6BrNO2 | Boiling Point | 376.763 °C at 760 mmHg |
Molecular Weight | 228.045 | Flash Point | 181.66 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
6-Bromo-4H-benzo[1,4]oxazin-3-one; |
Article Data | 1 |
The 6-Bromo-2H-1,4-benzoxazin-3(4H)-one, with CAS registry number 24036-52-0, has the systematic name of 6-bromo-2H-1,4-benzoxazin-3(4H)-one. And the chemical formula of this chemical is C8H6BrNO2. This chemical should stored in cool, dry place in tightly closed containers.
Physical properties of 6-Bromo-2H-1,4-benzoxazin-3(4H)-one: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 286; (8)ACD/KOC (pH 7.4): 286; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 46.589 cm3; (15)Molar Volume: 136.021 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 47.598 dyne/cm; (18)Enthalpy of Vaporization: 62.445 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 6-Bromo-2H-1,4-benzoxazin-3(4H)-one irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2OCC(=O)Nc2c1
(2)InChI: InChI=1/C8H6BrNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
(3)InChIKey: UQCFMEFQBSYDHY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6BrNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
(5)Std. InChIKey: UQCFMEFQBSYDHY-UHFFFAOYSA-N