Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromomethylisoxazole |
EINECS | N/A |
CAS No. | 69735-35-9 | Density | 1.706 g/cm3 |
PSA | 26.03000 | LogP | 1.56950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4BrNO | Boiling Point | 214.198 °C at 760 mmHg |
Molecular Weight | 161.986 | Flash Point | 83.344 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-BROMOMETHYL-ISOXAZOLE;ISOXAZOLE, 5-(BROMOMETHYL)-;Isoxazole, 5-(bromomethyl)- (9CI);40013 1 380,-;5-(bromomethyl)-1,2-oxazole |
Article Data | 12 |
This chemical is called 5-Bromomethylisoxazole, and it can also be named as isoxazole, 5-(bromomethyl)-. With the molecular formula of C4H4BrNO, its molecular weight is 161.98. The CAS registry number of this chemical is 69735-35-9, and its product category is Oxazole.
Other characteristics of the 5-Bromomethylisoxazole can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 63; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 29.292 cm3; (15)Molar Volume: 94.944 cm3; (16)Polarizability: 11.612×10-24cm3; (17)Surface Tension: 43.872 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 83.344 °C; (20)Enthalpy of Vaporization: 43.216 kJ/mol; (21)Boiling Point: 214.198 °C at 760 mmHg; (22)Vapour Pressure: 0.23 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCc1oncc1
2.InChI: InChI=1/C4H4BrNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
3.InChIKey: DKBISLDZVNXIFT-UHFFFAOYAL