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4-Bromo-2-(trifluoromethoxy)iodobenzene

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Name

4-Bromo-2-(trifluoromethoxy)iodobenzene

EINECS N/A
CAS No. 175278-12-3 Density 2.182 g/cm3
PSA 9.23000 LogP 3.95230
Solubility N/A Melting Point ~26°C
Formula C7H3BrF3IO Boiling Point 243.7 °C at 760 mmHg
Molecular Weight 366.90 Flash Point 101.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175278-12-3 (4-Bromo-2-(trifluoromethoxy)iodobenzene) Hazard Symbols IrritantXi
Synonyms

4-Bromo-1-iodo-2-trifluoromethoxybenzene;5-Bromo-2-iodophenyl trifluoromethyl ether;

 

4-Bromo-2-(trifluoromethoxy)iodobenzene Specification

This chemical is called Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)-, and its systematic name is 4-bromo-1-iodo-2-(trifluoromethoxy)benzene. With the molecular formula of C7H3BrF3IO, its molecular weight is 366.90. The CAS registry number of this chemical is 175278-12-3.

Other characteristics of the Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4697.12; (6)ACD/BCF (pH 7.4): 4697.12; (7)ACD/KOC (pH 5.5): 14787.34; (8)ACD/KOC (pH 7.4): 14787.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 53.98 cm3; (15)Molar Volume: 168 cm3; (16)Polarizability: 21.4×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 2.182 g/cm3; (19)Flash Point: 101.2 °C; (20)Enthalpy of Vaporization: 46.13 kJ/mol; (21)Boiling Point: 243.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0493 mmHg at 25°C.

Uses of this chemical: The Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)- could react with 4-formyl-morpholine, and obtain the 4-bromo-2-trifluoromethoxy-benzaldehyde. This reaction needs the reagent of n-BuLi, and the solvent of tetrahydrofuran. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Ic1c(OC(F)(F)F)cc(Br)cc1
2.InChI: InChI=1/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
3.InChIKey: IGWVTCXEZVURNB-UHFFFAOYAR

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