2,4-Quinazolinediol, 8-bromo- supplier

Name
8-bromoquinazoline-2,4(1H,3H)-dione
EINECS
CAS No. 331646-99-2
Article Data11
CAS DataBase
Density 1.959 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O₂
Boiling Point 537.6 °C at 760 mmHg
Molecular Weight 241.044
Flash Point 278.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Bromoquinazoline-2,4-diol;8-Bromoquinazoline-2,4(1H,3H)-dione;
PSA 66.24000
LogP 1.80350

2,4-Quinazolinediol, 8-bromo- Specification

The 2,4-Quinazolinediol, 8-bromo-, with the CAS registry number 331646-99-2, is also known as 8-Bromoquinazoline-2,4(1H,3H)-dione. This chemical's molecular formula is C₈H₅BrN₂O₂ and molecular weight is 241.04. What's more, its systematic name is 8-bromoquinazoline-2,4-diol.

Physical properties of 2,4-Quinazolinediol, 8-bromo- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 66.24 Å²; (10)Index of Refraction: 1.782; (11)Molar Refractivity: 51.73 cm³; (12)Molar Volume: 123 cm³; (13)Polarizability: 20.5×10^-24cm³; (14)Surface Tension: 90.9 dyne/cm; (15)Density: 1.959 g/cm³; (16)Flash Point: 278.9 °C; (17)Enthalpy of Vaporization: 84.52 kJ/mol; (18)Boiling Point: 537.6 °C at 760 mmHg; (19)Vapour Pressure: 3.58E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2nc(O)nc1c2cccc1Br
(2)InChI: InChI=1S/C8H5BrN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
(3)InChIKey: XAKSYDAOQDFHDD-UHFFFAOYSA-N

Product Name

8-bromoquinazoline-2,4(1H,3H)-dione

2,4-Quinazolinediol, 8-bromo- Specification

Related Products

Hot Products