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Name |
Benzene,2-(bromomethyl)-1-fluoro-4-nitro- |
EINECS | N/A |
CAS No. | 454-15-9 | Density | 1.734 g/cm3 |
PSA | 45.82000 | LogP | 3.15200 |
Solubility | N/A | Melting Point |
74-76 °C |
Formula | C7H5BrFNO2 | Boiling Point | 303.369 °C at 760 mmHg |
Molecular Weight | 234.025 | Flash Point | 137.273 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Fluoro-5-nitrobenzyl bromide;3-Bromomethyl-4-fluoronitrobenzene;Toluene, a-bromo-2-fluoro-5-nitro- (8CI);2-(Bromomethyl)-1-fluoro-4-nitrobenzene; |
Article Data | 16 |
The Benzene, 2-(bromomethyl)-1-fluoro-4-nitro-, with the CAS registry number 454-15-9, is also known as 2-Fluoro-5-nitrobenzyl bromide. This chemical's molecular formula is C7H5BrFNO2 and molecular weight is 234.02. What's more, its systematic name is 2-(Bromomethyl)-1-fluoro-4-nitrobenzene.
Physical properties about Benzene, 2-(bromomethyl)-1-fluoro-4-nitro- are: (1)ACD/LogP: 2.50; (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): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 546; (8)ACD/KOC (pH 7.4): 546; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 45.44 cm3; (15)Molar Volume: 134.977 cm3; (16)Polarizability: 18.014×10-24 cm3; (17)Surface Tension: 49.949 dyne/cm; (18)Density: 1.734 g/cm3; (19)Flash Point: 137.273 °C; (20)Enthalpy of Vaporization: 52.193 kJ/mol; (21)Boiling Point: 303.369 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(ccc1F)[N+]([O-])=O
(2) InChI: InChI=1/C7H5BrFNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2
(3) InChIKey: KQAKOKGCKNKARC-UHFFFAOYAX