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| CAS No.: | 7657-09-2 |
|---|---|
| Name: | 2,5-DIBROMOBENZOTRIFLUORIDE |
| Molecular Structure: | |
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| Formula: | C7H3Br2F3 |
| Molecular Weight: | 303.904 |
| Synonyms: | Toluene,2,5-dibromo-a,a,a-trifluoro- (8CI);1,4-Dibromo-2-(trifluoromethyl)benzene;2,5-Dibromo(trifluoromethyl)benzene;2,5-Dibromo-1-(trifluoromethyl)benzene;2,5-Dibromo-a,a,a-trifluorotoluene;2,5-Dibromobenzotrifluoride;NSC 88275; |
| EINECS: | 231-620-1 |
| Density: | 1.956 g/cm3 |
| Melting Point: | 49-51 °C(lit.) |
| Boiling Point: | 210.2 °C at 760 mmHg |
| Flash Point: | 80.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.23040 |
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Specification
The Benzene,1,4-dibromo-2-(trifluoromethyl)-, with the CAS registry number 7657-09-2 and EINECS registry number 231-620-1, has the systematic name of 1,4-dibromo-2-(trifluoromethyl)benzene. It belongs to the following product categories: Aryl; C7; Halogenated Hydrocarbons. And the molecular formula of the chemical is C7H3Br2F3.
The characteristics of Benzene,1,4-dibromo-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 581.66; (6)ACD/BCF (pH 7.4): 581.66; (7)ACD/KOC (pH 5.5): 3315.54; (8)ACD/KOC (pH 7.4): 3315.54; (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: 80.9 °C; (20)Enthalpy of Vaporization: 42.83 kJ/mol; (21)Boiling Point: 210.2 °C at 760 mmHg; (22)Vapour Pressure: 0.282 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1cc(Br)ccc1Br
(2)InChI: InChI=1/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(3)InChIKey: VWKFJAOCLPPQGR-UHFFFAOYAS