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| CAS No.: | 401-84-3 |
|---|---|
| Name: | 3,5-Dibromobenzotrifluoride |
| Molecular Structure: | |
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| Formula: | C7H3Br2F3 |
| Molecular Weight: | 303.904 |
| Synonyms: | 3,5-Dibromobenzotrifluoride;1,3-Dibromo-5-(trifluoromethyl)benzene;3,5-Dibromo-1-(trifluoromethyl)benzene; |
| Density: | 1.956 g/cm3 |
| Melting Point: | 47.4-48.0 °C |
| Boiling Point: | 200.1 °C at 760 mmHg |
| Flash Point: | 74.8 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 0.00000 |
| LogP: | 4.23040 |
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Specification
The Benzene,1,3-dibromo-5-(trifluoromethyl)-, with the CAS registry number 401-84-3, is also known as 3,5-Dibromobenzotrifluoride. This chemical's molecular formula is C7H3Br2F3 and molecular weight is 303.90. What's more, its IUPAC name is 1,3-dibromo-5-(trifluoromethyl)benzene. It can be storaged at the room temperature.
Physical properties of Benzene,1,3-dibromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 363.35; (6)ACD/BCF (pH 7.4): 363.35; (7)ACD/KOC (pH 5.5): 2367.48; (8)ACD/KOC (pH 7.4): 2367.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 46.61 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 1.956 g/cm3; (19)Flash Point: 74.8 °C; (20)Enthalpy of Vaporization: 41.85 kJ/mol; (21)Boiling Point: 200.1 °C at 760 mmHg; (22)Vapour Pressure: 0.467 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1)C(F)(F)F
(2)Std. InChI: InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
(3)Std. InChIKey: OFNXSUANJLHGQN-UHFFFAOYSA-N