Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2-Benzisoxazol-3(2H)-one, 5-bromo- |
EINECS | N/A |
CAS No. | 65685-50-9 | Density | 1.809 g/cm3 |
PSA | 46.26000 | LogP | 2.29590 |
Solubility | N/A | Melting Point |
202-203 °C |
Formula | C7H4BrNO2 | Boiling Point | 360.6 °Cat 760mmHg |
Molecular Weight | 214.018 | Flash Point | 171.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-1,2-benzisoxazol-3(2H)-one;5-bromobenzo[d]isoxazol-3-one;5-Bromo-3-hydroksybenzoizoksazol [Polish]; |
Article Data | 8 |
This chemical is called 1,2-Benzisoxazol-3(2H)-one, 5-bromo-, and its systematic name is 5-bromo-1,2-benzisoxazol-3(2H)-one. With the molecular formula of C7H4BrNO2, its molecular weight is 214.0162. The CAS registry number of this chemical is 65685-50-9.
Other characteristics of the 1,2-Benzisoxazol-3(2H)-one, 5-bromo- can be summarised as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.52; (6)ACD/BCF (pH 7.4): 27.52; (7)ACD/KOC (pH 5.5): 373.34; (8)ACD/KOC (pH 7.4): 373.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 41.97 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 16.64×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.809 g/cm3; (19)Flash Point: 171.9 °C; (20)Enthalpy of Vaporization: 63.02 kJ/mol; (21)Boiling Point: 360.6 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc1c(ONC1=O)cc2
2.InChI: InChI=1/C7H4BrNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
3.InChIKey: XLPXBJYNYXPQAO-UHFFFAOYAS