2,5-Dibromobenzotrifluoride supplier

Name
2,5-DIBROMOBENZOTRIFLUORIDE
EINECS 231-620-1
CAS No. 7657-09-2
Density 1.956 g/cm³
Solubility
Melting Point 49-51 °C(lit.)
Formula C₇H₃Br₂F₃
Boiling Point 210.2 °C at 760 mmHg
Molecular Weight 303.904
Flash Point 80.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 0.00000
LogP 4.23040

2,5-Dibromobenzotrifluoride 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

Product Name

2,5-DIBROMOBENZOTRIFLUORIDE

2,5-Dibromobenzotrifluoride Specification

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