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Name |
4-Bromo-2-nitro-1-(trifluoromethyl)benzene |
EINECS | N/A |
CAS No. | 251115-21-6 | Density | 1.788 g/cm3 |
PSA | 45.82000 | LogP | 3.89930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrF3NO2 | Boiling Point | 268.9 °C at 760 mmHg |
Molecular Weight | 270.006 | Flash Point | 116.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2-nitro-1-(trifluoromethyl)benzene; |
Article Data | 3 |
The Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)-, with the CAS registry number 251115-21-6, is also known as 4-Bromo-2-nitrobenzotrifluoride. This chemical's molecular formula is C7H3BrF3NO2 and molecular weight is 270.0034. What's more, its systematic name is 4-Bromo-2-nitro-1-(trifluoromethyl)benzene.
Physical properties about Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.11; (6)ACD/BCF (pH 7.4): 95.11; (7)ACD/KOC (pH 5.5): 907.02; (8)ACD/KOC (pH 7.4): 907.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 150.9 cm3; (16)Polarizability: 18.02×10-24 cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.788 g/cm3; (19)Flash Point: 116.4 °C; (20)Enthalpy of Vaporization: 48.66 kJ/mol; (21)Boiling Point: 268.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0124 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(Br)cc1N(=O)=O
(2) InChI: InChI=1/C7H3BrF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H
(3) InChIKey: WPDWGHAFCXNYDI-UHFFFAOYAQ